N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C17H24ClN — CID 63420128

IUPACN-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(Cl)cc1NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H24ClN/c1-11-5-6-13(18)10-14(11)19-15-9-12-7-8-17(15,4)16(12,2)3/h5-6,10,12,15,19H,7-9H2,1-4H3
InChIKeyQUHKINJANNAXHI-UHFFFAOYSA-N
MW277.84 g/mol
LogP5.28
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 63420128) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID63420128
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(Cl)cc1NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H24ClN/c1-11-5-6-13(18)10-14(11)19-15-9-12-7-8-17(15,4)16(12,2)3/h5-6,10,12,15,19H,7-9H2,1-4H3
InChIKeyQUHKINJANNAXHI-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.84
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-chlorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81264327
N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63427171
N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63422790
2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
CID 79041755
N-[(2-bromo-5-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 66161061
2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol
CID 107679442
N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63421949
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55197879
1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63419456
N-(5-chloro-2-methylphenyl)thian-4-amine
CID 43511220
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 55523380

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 63420128) is N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is Cc1ccc(Cl)cc1NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is QUHKINJANNAXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-11-5-6-13(18)10-14(11)19-15-9-12-7-8-17(15,4)16(12,2)3/h5-6,10,12,15,19H,7-9H2,1-4H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 277.84 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63420128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).