8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine

C21H22N2 — CID 131969065

IUPAC8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine
SMILESC=C(C)C1=Cc2ccc(CCc3ccccc3)cc2N=C(N)C1
InChIInChI=1S/C21H22N2/c1-15(2)19-13-18-11-10-17(12-20(18)23-21(22)14-19)9-8-16-6-4-3-5-7-16/h3-7,10-13H,1,8-9,14H2,2H3,(H2,22,23)
InChIKeySMCACKCFLQNVJK-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.82
Rot. Bonds4

About 8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine

8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine (PubChem CID 131969065) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine.

Molecular Properties

Compound Name8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine
PubChem CID131969065
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine
SMILESC=C(C)C1=Cc2ccc(CCc3ccccc3)cc2N=C(N)C1
InChIInChI=1S/C21H22N2/c1-15(2)19-13-18-11-10-17(12-20(18)23-21(22)14-19)9-8-16-6-4-3-5-7-16/h3-7,10-13H,1,8-9,14H2,2H3,(H2,22,23)
InChIKeySMCACKCFLQNVJK-UHFFFAOYSA-N
XLogP4.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]acetic acid
CID 50943463
benzyl 2-[4-[2-amino-4-[3-hydroxypropyl(propyl)carbamoyl]-3H-1-benzazepin-8-yl]phenyl]acetate
CID 50943618
4-buta-2,3-dien-2-yl-8-[4-(1-pyrrolidin-1-ylethenyl)phenyl]-3H-1-benzazepin-2-amine
CID 129058439
2-amino-8-(3-methylsulfinylphenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 126696191
2-amino-8-N-(3-ethylphenyl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
CID 122510276
1-N-[(E)-1-[2-amino-8-[4-(4,4-dimethyl-2-methylidenepentyl)phenyl]-3H-1-benzazepin-4-yl]but-1-enyl]-1-N-propylprop-2-ene-1,2-diamine
CID 131969299
N-methyl-N-(2-phenylethyl)prop-1-en-2-amine
CID 118670285
2-amino-8-N-[3-(formamidomethyl)phenyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
CID 142430736
2-amino-8-(2-ethyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 138463984
4-(2-phenylethyl)benzamide
CID 23130460
2-amino-8-N-(3-methylphenyl)-4-N-propyl-3H-1-benzazepine-4,8-dicarboxamide
CID 126704002
1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one
CID 143240107

Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine?
The IUPAC name of 8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine (CID 131969065) is 8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine.
What is the SMILES notation for 8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine?
The canonical SMILES for 8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine is C=C(C)C1=Cc2ccc(CCc3ccccc3)cc2N=C(N)C1.
What is the InChIKey of 8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine?
The InChIKey is SMCACKCFLQNVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-15(2)19-13-18-11-10-17(12-20(18)23-21(22)14-19)9-8-16-6-4-3-5-7-16/h3-7,10-13H,1,8-9,14H2,2H3,(H2,22,23).
What are the key properties of 8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine?
8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine has a molecular weight of 302.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethyl)-4-prop-1-en-2-yl-3H-1-benzazepin-2-amine is sourced from PubChem (CID 131969065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).