N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine

C19H25Cl2N — CID 4719250

IUPACN-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCc1cccc(Cl)c1Cl)(C3)C2
InChIInChI=1S/C19H25Cl2N/c1-17-6-13-7-18(2,10-17)12-19(8-13,11-17)22-9-14-4-3-5-15(20)16(14)21/h3-5,13,22H,6-12H2,1-2H3
InChIKeyFIVUKKUNSMGTEM-UHFFFAOYSA-N
MW338.32 g/mol
LogP5.83
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine

N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine (PubChem CID 4719250) has the molecular formula C19H25Cl2N and a molecular weight of 338.32 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine
PubChem CID4719250
Molecular FormulaC19H25Cl2N
Molecular Weight338.32 g/mol
Exact Mass337.14
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCc1cccc(Cl)c1Cl)(C3)C2
InChIInChI=1S/C19H25Cl2N/c1-17-6-13-7-18(2,10-17)12-19(8-13,11-17)22-9-14-4-3-5-15(20)16(14)21/h3-5,13,22H,6-12H2,1-2H3
InChIKeyFIVUKKUNSMGTEM-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.32
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,5R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-3,5-dimethyladamantan-1-amine
CID 124911801
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 66532726
(3S,5R)-N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-3,5-dimethyladamantan-1-amine
CID 124911532
(3R,5S)-3,5-dimethyl-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]adamantan-1-amine
CID 51990567
N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423899
3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine
CID 4723801
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 66530001
3,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine
CID 4719008
3,5-dimethyl-N-(pyridin-4-ylmethyl)adamantan-1-amine;dihydrochloride
CID 163325426
(3S,5R)-N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine
CID 35698153
N-[(3-ethoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine
CID 4717237
N-[[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 66535295

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine (CID 4719250) is N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine is CC12CC3CC(C)(C1)CC(NCc1cccc(Cl)c1Cl)(C3)C2.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine?
The InChIKey is FIVUKKUNSMGTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N/c1-17-6-13-7-18(2,10-17)12-19(8-13,11-17)22-9-14-4-3-5-15(20)16(14)21/h3-5,13,22H,6-12H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine?
N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine has a molecular weight of 338.32 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-3,5-dimethyladamantan-1-amine is sourced from PubChem (CID 4719250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).