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

C16H20ClN — CID 15323869

IUPACN-(2-chlorophenyl)adamantan-2-amine
SMILESClc1ccccc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H20ClN/c17-14-3-1-2-4-15(14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
InChIKeyKQMALPLMBCQXBJ-UHFFFAOYSA-N
MW261.80 g/mol
LogP4.58
Rot. Bonds2

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

N-(2-chlorophenyl)adamantan-2-amine (PubChem CID 15323869) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)adamantan-2-amine
PubChem CID15323869
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC NameN-(2-chlorophenyl)adamantan-2-amine
SMILESClc1ccccc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H20ClN/c17-14-3-1-2-4-15(14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
InChIKeyKQMALPLMBCQXBJ-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

(2-{4-[(2-Chloro-benzylamino)-methyl]-cyclohexyl}-ethyl)-(2-chloro-phenyl)-amine
CID 44398036
Aniline, N-(2-adamantyl)-
CID 40580
N-(2-Chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 23324799
N-[4-(dimethylamino)benzyl]-2-adamantanamine hydrochloride
CID 2941255
2-chloro-N-(1-phenylethyl)aniline
CID 14976481
N-diphenylmethyl-4-chloroaniline
CID 29776738
N-(5-chloroadamant-2-yl)-p-fluoroaniline
CID 12037667
N-(2-adamantyl)-2-(4-chloroanilino)acetamide
CID 172448960
N-(1-adamantyl)-2-(2-chloroanilino)acetamide
CID 172470961
N-(4-chlorophenyl)adamantan-2-amine
CID 15323874
N-[(adamantan-1-yl)methyl]aniline
CID 15516940
2-chloro-N-(2-phenylethyl)aniline
CID 21682091

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)adamantan-2-amine?
The IUPAC name of N-(2-chlorophenyl)adamantan-2-amine (CID 15323869) is N-(2-chlorophenyl)adamantan-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)adamantan-2-amine?
The canonical SMILES for N-(2-chlorophenyl)adamantan-2-amine is Clc1ccccc1NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-chlorophenyl)adamantan-2-amine?
The InChIKey is KQMALPLMBCQXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN/c17-14-3-1-2-4-15(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-(2-chlorophenyl)adamantan-2-amine?
N-(2-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-(2-chlorophenyl)adamantan-2-amine is sourced from PubChem (CID 15323869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).