(1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine

C20H29N — CID 27088604

IUPAC(1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CN[C@@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H29N/c1-14-5-3-4-6-19(14)13-21-15(2)20-10-16-7-17(11-20)9-18(8-16)12-20/h3-6,15-18,21H,7-13H2,1-2H3/t15-,16?,17?,18?,20?/m0/s1
InChIKeyBVPIBDJWPQVWCW-CCLIWJKGSA-N
MW283.46 g/mol
LogP4.69
Rot. Bonds4

About (1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine

(1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine (PubChem CID 27088604) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is (1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine
PubChem CID27088604
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name(1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CN[C@@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H29N/c1-14-5-3-4-6-19(14)13-21-15(2)20-10-16-7-17(11-20)9-18(8-16)12-20/h3-6,15-18,21H,7-13H2,1-2H3/t15-,16?,17?,18?,20?/m0/s1
InChIKeyBVPIBDJWPQVWCW-CCLIWJKGSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[1-(1-adamantyl)ethylamino]methyl]aniline
CID 66387822
1-(1-methylcyclopropyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60913786
1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride
CID 163327971
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489152
1-(1-adamantyl)-N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4187923
1-(1-adamantyl)-N-[(6-bromo-2-pyridinyl)methyl]ethanamine
CID 115937764
N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 46557706
(1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 7059784
N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline
CID 43099908
1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 43662250
(1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 27209522
N-[(1R)-1-(1-adamantyl)ethyl]-2,3-dimethylbenzamide
CID 7929646

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine (CID 27088604) is (1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine is Cc1ccccc1CN[C@@H](C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine?
The InChIKey is BVPIBDJWPQVWCW-CCLIWJKGSA-N. The full InChI is InChI=1S/C20H29N/c1-14-5-3-4-6-19(14)13-21-15(2)20-10-16-7-17(11-20)9-18(8-16)12-20/h3-6,15-18,21H,7-13H2,1-2H3/t15-,16?,17?,18?,20?/m0/s1.
What are the key properties of (1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine?
(1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine has a molecular weight of 283.46 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-adamantyl)-N-[(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 27088604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).