[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

C19H22N2O — CID 15896086

IUPAC[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCCc3ccccc32)ccc1CN
InChIInChI=1S/C19H22N2O/c1-14-12-16(9-10-17(14)13-20)19(22)21-11-5-4-7-15-6-2-3-8-18(15)21/h2-3,6,8-10,12H,4-5,7,11,13,20H2,1H3
InChIKeySKCOMCAQFPNEHZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.44
Rot. Bonds2

About [4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (PubChem CID 15896086) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is [4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
PubChem CID15896086
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCCc3ccccc32)ccc1CN
InChIInChI=1S/C19H22N2O/c1-14-12-16(9-10-17(14)13-20)19(22)21-11-5-4-7-15-6-2-3-8-18(15)21/h2-3,6,8-10,12H,4-5,7,11,13,20H2,1H3
InChIKeySKCOMCAQFPNEHZ-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide
CID 87457269
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
2,6-dimethyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzonitrile
CID 21083240
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
2-methyl-N-[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 18919724
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3,4-dihydro-2H-quinolin-1-yl-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]methanone
CID 7685923
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (CID 15896086) is [4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CN.
What is the InChIKey of [4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The InChIKey is SKCOMCAQFPNEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-12-16(9-10-17(14)13-20)19(22)21-11-5-4-7-15-6-2-3-8-18(15)21/h2-3,6,8-10,12H,4-5,7,11,13,20H2,1H3.
What are the key properties of [4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is sourced from PubChem (CID 15896086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).