1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride

C15H23Cl2NO — CID 170890013

IUPAC1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(Cl)c(OCC2CC2)cc1C.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-3-13(17)7-12-8-14(16)15(6-10(12)2)18-9-11-4-5-11;/h6,8,11,13H,3-5,7,9,17H2,1-2H3;1H
InChIKeySHMVVYHGDPGHMY-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.14
Rot. Bonds6

About 1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride

1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride (PubChem CID 170890013) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
PubChem CID170890013
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(Cl)c(OCC2CC2)cc1C.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-3-13(17)7-12-8-14(16)15(6-10(12)2)18-9-11-4-5-11;/h6,8,11,13H,3-5,7,9,17H2,1-2H3;1H
InChIKeySHMVVYHGDPGHMY-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170889912
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
CID 170890285
1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride
CID 170890029
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
5-chloro-4-(cyclopropylmethoxy)-2-methylaniline
CID 130549167
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247
1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894108
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889656
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667102
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889904

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride (CID 170890013) is 1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride is CCC(N)Cc1cc(Cl)c(OCC2CC2)cc1C.Cl.
What is the InChIKey of 1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride?
The InChIKey is SHMVVYHGDPGHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO.ClH/c1-3-13(17)7-12-8-14(16)15(6-10(12)2)18-9-11-4-5-11;/h6,8,11,13H,3-5,7,9,17H2,1-2H3;1H.
What are the key properties of 1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride?
1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride has a molecular weight of 304.26 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170890013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).