2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine

C19H24N2 — CID 63154718

IUPAC2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
SMILESCc1cccc(C(CN)N2CCCc3ccccc3C2)c1
InChIInChI=1S/C19H24N2/c1-15-6-4-9-17(12-15)19(13-20)21-11-5-10-16-7-2-3-8-18(16)14-21/h2-4,6-9,12,19H,5,10-11,13-14,20H2,1H3
InChIKeyFAMUKGPGWNDACU-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.44
Rot. Bonds3

About 2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine

2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (PubChem CID 63154718) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
PubChem CID63154718
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
SMILESCc1cccc(C(CN)N2CCCc3ccccc3C2)c1
InChIInChI=1S/C19H24N2/c1-15-6-4-9-17(12-15)19(13-20)21-11-5-10-16-7-2-3-8-18(16)14-21/h2-4,6-9,12,19H,5,10-11,13-14,20H2,1H3
InChIKeyFAMUKGPGWNDACU-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
CID 16786774
2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine
CID 16793061
2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
CID 43584386
2-(4-bromo-5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
CID 102839177
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 43080008
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822114
2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
CID 66134503
4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol
CID 16782188
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine
CID 61440628
2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 113416955
1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
CID 114677976

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine?
The IUPAC name of 2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (CID 63154718) is 2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine is Cc1cccc(C(CN)N2CCCc3ccccc3C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine?
The InChIKey is FAMUKGPGWNDACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-15-6-4-9-17(12-15)19(13-20)21-11-5-10-16-7-2-3-8-18(16)14-21/h2-4,6-9,12,19H,5,10-11,13-14,20H2,1H3.
What are the key properties of 2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine?
2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine has a molecular weight of 280.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine is sourced from PubChem (CID 63154718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).