N-[(2-chlorophenyl)methyl]adamantan-1-amine

C17H22ClN — CID 4719217

IUPACN-[(2-chlorophenyl)methyl]adamantan-1-amine
SMILESClc1ccccc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22ClN/c18-16-4-2-1-3-15(16)11-19-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,19H,5-11H2
InChIKeyBHIOKQZIDNCZRW-UHFFFAOYSA-N
MW275.82 g/mol
LogP4.40
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]adamantan-1-amine

N-[(2-chlorophenyl)methyl]adamantan-1-amine (PubChem CID 4719217) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]adamantan-1-amine
PubChem CID4719217
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC NameN-[(2-chlorophenyl)methyl]adamantan-1-amine
SMILESClc1ccccc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22ClN/c18-16-4-2-1-3-15(16)11-19-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,19H,5-11H2
InChIKeyBHIOKQZIDNCZRW-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5R,7R)-3-[(2-chlorophenyl)methylamino]adamantan-1-ol
CID 98296417
N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine
CID 4721689
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
CID 4721676
1-(1-adamantyl)-3-[(2-chlorophenyl)methyl]thiourea
CID 2817295
4-N-(1-adamantyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19143547
N-[(2,3-difluorophenyl)methyl]adamantan-1-amine
CID 43425247
(2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 7984944
N-[(4-chloro-2-fluorophenyl)methyl]adamantan-1-amine
CID 114841278
2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 8934558
2-[(1-adamantylamino)methyl]-6-methylphenol
CID 115950917
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine
CID 4721792
2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol
CID 60903108

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]adamantan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]adamantan-1-amine (CID 4719217) is N-[(2-chlorophenyl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]adamantan-1-amine is Clc1ccccc1CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]adamantan-1-amine?
The InChIKey is BHIOKQZIDNCZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN/c18-16-4-2-1-3-15(16)11-19-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,19H,5-11H2.
What are the key properties of N-[(2-chlorophenyl)methyl]adamantan-1-amine?
N-[(2-chlorophenyl)methyl]adamantan-1-amine has a molecular weight of 275.82 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]adamantan-1-amine is sourced from PubChem (CID 4719217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).