2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine

C21H24N2 — CID 118686683

IUPAC2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C=CC=C(C(N)c2ccccc2)C1NCc1ccccc1
InChIInChI=1S/C21H24N2/c1-16-9-8-14-19(20(22)18-12-6-3-7-13-18)21(16)23-15-17-10-4-2-5-11-17/h2-14,16,20-21,23H,15,22H2,1H3
InChIKeyFGPRSEKXWWJQNC-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.98
Rot. Bonds5

About 2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine

2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 118686683) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID118686683
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C=CC=C(C(N)c2ccccc2)C1NCc1ccccc1
InChIInChI=1S/C21H24N2/c1-16-9-8-14-19(20(22)18-12-6-3-7-13-18)21(16)23-15-17-10-4-2-5-11-17/h2-14,16,20-21,23H,15,22H2,1H3
InChIKeyFGPRSEKXWWJQNC-UHFFFAOYSA-N
XLogP3.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-benzylhydrazinyl)-phenylmethanamine
CID 90069581
(1R,2R,3R,4R,6R)-4-(benzylamino)-6-methylcyclohexane-1,2,3-triol
CID 101200286
(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 101384659
diphenylmethanamine;methanethiol
CID 143873840
N-benzyl-2,2,3-trimethylcyclopentan-1-amine
CID 123953316
(2S)-2-amino-2-phenylethanol;methanol
CID 160824062
N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine
CID 68819866
N-benzyl-2-phenylbutan-1-amine
CID 60658494
N-benzyl-1,2-dihydropyridin-2-amine
CID 19072346
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
2-(benzylamino)cyclopentane-1,3-diol
CID 57123230
(3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine
CID 138712790

Frequently Asked Questions

What is the IUPAC name of 2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine (CID 118686683) is 2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine is CC1C=CC=C(C(N)c2ccccc2)C1NCc1ccccc1.
What is the InChIKey of 2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is FGPRSEKXWWJQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-16-9-8-14-19(20(22)18-12-6-3-7-13-18)21(16)23-15-17-10-4-2-5-11-17/h2-14,16,20-21,23H,15,22H2,1H3.
What are the key properties of 2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine?
2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 304.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(phenyl)methyl]-N-benzyl-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 118686683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).