1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride

C18H27Cl2NO — CID 170890029

IUPAC1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(Cl)c(OCC2CC2)c2c1CCCC2.Cl
InChIInChI=1S/C18H26ClNO.ClH/c1-2-14(20)9-13-10-17(19)18(21-11-12-7-8-12)16-6-4-3-5-15(13)16;/h10,12,14H,2-9,11,20H2,1H3;1H
InChIKeyXBDQSQUCUJOPTE-UHFFFAOYSA-N
MW344.33 g/mol
LogP4.71
Rot. Bonds6

About 1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride

1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride (PubChem CID 170890029) has the molecular formula C18H27Cl2NO and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride
PubChem CID170890029
Molecular FormulaC18H27Cl2NO
Molecular Weight344.33 g/mol
Exact Mass343.15
IUPAC Name1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(Cl)c(OCC2CC2)c2c1CCCC2.Cl
InChIInChI=1S/C18H26ClNO.ClH/c1-2-14(20)9-13-10-17(19)18(21-11-12-7-8-12)16-6-4-3-5-15(13)16;/h10,12,14H,2-9,11,20H2,1H3;1H
InChIKeyXBDQSQUCUJOPTE-UHFFFAOYSA-N
XLogP4.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride with MolForge

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Related Compounds

1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
1-[5-butan-2-yl-3-chloro-2-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170889873
1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889959
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667102
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine
CID 170890252
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
CID 170890285

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride (CID 170890029) is 1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride is CCC(N)Cc1cc(Cl)c(OCC2CC2)c2c1CCCC2.Cl.
What is the InChIKey of 1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride?
The InChIKey is XBDQSQUCUJOPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO.ClH/c1-2-14(20)9-13-10-17(19)18(21-11-12-7-8-12)16-6-4-3-5-15(13)16;/h10,12,14H,2-9,11,20H2,1H3;1H.
What are the key properties of 1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride?
1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride has a molecular weight of 344.33 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170890029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).