1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C16H21F3N2 — CID 91464731

IUPAC1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCc1cc2c(cc1C(F)(F)F)N(CC1CC1)CCCC2N
InChIInChI=1S/C16H21F3N2/c1-10-7-12-14(20)3-2-6-21(9-11-4-5-11)15(12)8-13(10)16(17,18)19/h7-8,11,14H,2-6,9,20H2,1H3
InChIKeyOHAOTAJYGGEGHD-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.02
Rot. Bonds2

About 1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 91464731) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID91464731
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCc1cc2c(cc1C(F)(F)F)N(CC1CC1)CCCC2N
InChIInChI=1S/C16H21F3N2/c1-10-7-12-14(20)3-2-6-21(9-11-4-5-11)15(12)8-13(10)16(17,18)19/h7-8,11,14H,2-6,9,20H2,1H3
InChIKeyOHAOTAJYGGEGHD-UHFFFAOYSA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Ethyl-6-methyl-2,3-dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660303
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CID 11538686
1-Methyl-5-phenyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 21484730
2,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43100018
[4-(Azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 43138623
(2-Aminomethyl-4-trifluoromethyl-phenyl)-cyclopropylmethyl-propyl-amine
CID 43587121
1-[6-Ethyl-4,4-dimethyl-1-(3,3,3-trifluoropropyl)-2,3-dihydroquinolin-7-yl]ethanamine
CID 49821707
1-[6-Ethyl-4,4-dimethyl-1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-7-yl]ethanamine
CID 49821708
(3S)-3-methyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-9-amine
CID 54091635
[4-(Azepan-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 57463227
N-[(1S)-1-(4-fluorophenyl)ethyl]-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CID 57656142
N-[(3-fluorophenyl)methyl]-7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CID 57656369

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 91464731) is 1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine is Cc1cc2c(cc1C(F)(F)F)N(CC1CC1)CCCC2N.
What is the InChIKey of 1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is OHAOTAJYGGEGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-10-7-12-14(20)3-2-6-21(9-11-4-5-11)15(12)8-13(10)16(17,18)19/h7-8,11,14H,2-6,9,20H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 298.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 91464731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).