N-(4-chlorophenyl)adamantan-2-amine

C16H20ClN — CID 15323874

IUPACN-(4-chlorophenyl)adamantan-2-amine
SMILESClc1ccc(NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C16H20ClN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
InChIKeyVIBPXDGVCYSTCI-UHFFFAOYSA-N
MW261.80 g/mol
LogP4.58
Rot. Bonds2

About N-(4-chlorophenyl)adamantan-2-amine

N-(4-chlorophenyl)adamantan-2-amine (PubChem CID 15323874) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)adamantan-2-amine
PubChem CID15323874
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC NameN-(4-chlorophenyl)adamantan-2-amine
SMILESClc1ccc(NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C16H20ClN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
InChIKeyVIBPXDGVCYSTCI-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-adamantan-2-yl-2-[4-(4-chloro-phenyl)-piperazin-1-yl]-acetamide
CID 16100382
Aniline, N-(2-adamantyl)-
CID 40580
N-[4-(dimethylamino)benzyl]-2-adamantanamine hydrochloride
CID 2941255
4-chloro-N-(1-phenylbut-3-enyl)aniline
CID 478549
4-(2-adamantylamino)-N-(4-chloro-2-fluorophenyl)piperidine-1-carboxamide
CID 44592344
4-chloro-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]aniline
CID 46193733
4-chloro-N-(1-phenylethyl)aniline
CID 11276309
N-diphenylmethyl-4-chloroaniline
CID 29776738
N-(5-chloroadamant-2-yl)-p-fluoroaniline
CID 12037667
N-[(adamantan-2-yl)methyl]aniline
CID 81095462
N-(2-adamantyl)-2-(4-chloroanilino)acetamide
CID 172448960
N-(1-adamantyl)-2-(4-chloroanilino)acetamide
CID 172465105

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)adamantan-2-amine?
The IUPAC name of N-(4-chlorophenyl)adamantan-2-amine (CID 15323874) is N-(4-chlorophenyl)adamantan-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)adamantan-2-amine?
The canonical SMILES for N-(4-chlorophenyl)adamantan-2-amine is Clc1ccc(NC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-(4-chlorophenyl)adamantan-2-amine?
The InChIKey is VIBPXDGVCYSTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2.
What are the key properties of N-(4-chlorophenyl)adamantan-2-amine?
N-(4-chlorophenyl)adamantan-2-amine has a molecular weight of 261.80 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)adamantan-2-amine is sourced from PubChem (CID 15323874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).