N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine

C17H21Cl2N — CID 4721689

IUPACN-[(2,6-dichlorophenyl)methyl]adamantan-1-amine
SMILESClc1cccc(Cl)c1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21Cl2N/c18-15-2-1-3-16(19)14(15)10-20-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13,20H,4-10H2
InChIKeyIGWRBERYIPFFDB-UHFFFAOYSA-N
MW310.27 g/mol
LogP5.05
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine

N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine (PubChem CID 4721689) has the molecular formula C17H21Cl2N and a molecular weight of 310.27 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]adamantan-1-amine
PubChem CID4721689
Molecular FormulaC17H21Cl2N
Molecular Weight310.27 g/mol
Exact Mass309.11
IUPAC NameN-[(2,6-dichlorophenyl)methyl]adamantan-1-amine
SMILESClc1cccc(Cl)c1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21Cl2N/c18-15-2-1-3-16(19)14(15)10-20-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13,20H,4-10H2
InChIKeyIGWRBERYIPFFDB-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.27
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,6-dichlorophenyl)methylamino]adamantan-1-ol
CID 17216509
N-[(2-chlorophenyl)methyl]adamantan-1-amine
CID 4719217
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
CID 66536735
2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide
CID 7536783
N-[(4-chloro-2-fluorophenyl)methyl]adamantan-1-amine
CID 114841278
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]adamantan-1-amine
CID 124782814
2-(1-adamantylamino)-1-(2-chlorophenyl)ethanol
CID 60903108
N-[(2,3-difluorophenyl)methyl]adamantan-1-amine
CID 43425247
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
CID 4721676
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine
CID 4723694
(5R,7R)-3-[(2-chlorophenyl)methylamino]adamantan-1-ol
CID 98296417
2-[(1-adamantylamino)methyl]-6-methylphenol
CID 115950917

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine (CID 4721689) is N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine is Clc1cccc(Cl)c1CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine?
The InChIKey is IGWRBERYIPFFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N/c18-15-2-1-3-16(19)14(15)10-20-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13,20H,4-10H2.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine?
N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine has a molecular weight of 310.27 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine is sourced from PubChem (CID 4721689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).