1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine

C16H22ClN — CID 55223192

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine
SMILESNC(Cc1cccc(Cl)c1)CC1CC2CCC1C2
InChIInChI=1S/C16H22ClN/c17-15-3-1-2-11(8-15)9-16(18)10-14-7-12-4-5-13(14)6-12/h1-3,8,12-14,16H,4-7,9-10,18H2
InChIKeyJNFZGRSMYVSVKB-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.04
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine (PubChem CID 55223192) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine
PubChem CID55223192
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine
SMILESNC(Cc1cccc(Cl)c1)CC1CC2CCC1C2
InChIInChI=1S/C16H22ClN/c17-15-3-1-2-11(8-15)9-16(18)10-14-7-12-4-5-13(14)6-12/h1-3,8,12-14,16H,4-7,9-10,18H2
InChIKeyJNFZGRSMYVSVKB-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol
CID 55224817
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63527803
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine
CID 105167993
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dichlorophenyl)ethanamine
CID 43167287
1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine
CID 104770108
2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene
CID 63519319
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid
CID 79558031
2-[2-bromo-2-(2,5-dichlorophenyl)ethyl]bicyclo[2.2.1]heptane
CID 63444757
[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105338486
1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415115
2-(3-chlorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107179608

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine (CID 55223192) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine is NC(Cc1cccc(Cl)c1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine?
The InChIKey is JNFZGRSMYVSVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c17-15-3-1-2-11(8-15)9-16(18)10-14-7-12-4-5-13(14)6-12/h1-3,8,12-14,16H,4-7,9-10,18H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine has a molecular weight of 263.81 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine is sourced from PubChem (CID 55223192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).