1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride

C14H20Cl2FNO — CID 170889987

IUPAC1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(F)cc(Cl)c1OCC1CC1.Cl
InChIInChI=1S/C14H19ClFNO.ClH/c1-2-12(17)6-10-5-11(16)7-13(15)14(10)18-8-9-3-4-9;/h5,7,9,12H,2-4,6,8,17H2,1H3;1H
InChIKeyFHXILQPAMOTBNG-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.97
Rot. Bonds6

About 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride

1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride (PubChem CID 170889987) has the molecular formula C14H20Cl2FNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
PubChem CID170889987
Molecular FormulaC14H20Cl2FNO
Molecular Weight308.22 g/mol
Exact Mass307.09
IUPAC Name1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(F)cc(Cl)c1OCC1CC1.Cl
InChIInChI=1S/C14H19ClFNO.ClH/c1-2-12(17)6-10-5-11(16)7-13(15)14(10)18-8-9-3-4-9;/h5,7,9,12H,2-4,6,8,17H2,1H3;1H
InChIKeyFHXILQPAMOTBNG-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
1-[5-butan-2-yl-3-chloro-2-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170889873
1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride
CID 170890029
1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667102
1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889959
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]ethane-1,2-diamine
CID 170894968
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
CID 117387846
3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid
CID 117434417

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride (CID 170889987) is 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride is CCC(N)Cc1cc(F)cc(Cl)c1OCC1CC1.Cl.
What is the InChIKey of 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride?
The InChIKey is FHXILQPAMOTBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO.ClH/c1-2-12(17)6-10-5-11(16)7-13(15)14(10)18-8-9-3-4-9;/h5,7,9,12H,2-4,6,8,17H2,1H3;1H.
What are the key properties of 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride?
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride has a molecular weight of 308.22 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170889987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).