1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine

C18H27N — CID 105167993

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(N)CC2CC3CCC2C3)c1
InChIInChI=1S/C18H27N/c1-13-3-2-4-14(9-13)6-8-18(19)12-17-11-15-5-7-16(17)10-15/h2-4,9,15-18H,5-8,10-12,19H2,1H3
InChIKeyBHWVIRZYAXHQNV-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.08
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine (PubChem CID 105167993) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine
PubChem CID105167993
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(N)CC2CC3CCC2C3)c1
InChIInChI=1S/C18H27N/c1-13-3-2-4-14(9-13)6-8-18(19)12-17-11-15-5-7-16(17)10-15/h2-4,9,15-18H,5-8,10-12,19H2,1H3
InChIKeyBHWVIRZYAXHQNV-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.08
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-amine
CID 55223192
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-2-amine
CID 79562664
1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine
CID 105151295
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63527803
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine
CID 105020691
1-(2-bicyclo[2.2.1]heptanyl)hept-5-yn-2-amine
CID 105037583
5,7-dimethyl-1-(3-methylphenyl)octan-3-amine
CID 114201728
1-(2-bicyclo[2.2.1]heptanyl)-5-ethoxypentan-2-amine
CID 105167957
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789651
[1-cyclobutyl-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105310186

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine (CID 105167993) is 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(N)CC2CC3CCC2C3)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine?
The InChIKey is BHWVIRZYAXHQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-13-3-2-4-14(9-13)6-8-18(19)12-17-11-15-5-7-16(17)10-15/h2-4,9,15-18H,5-8,10-12,19H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 4.08, 5 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)-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 105167993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).