N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C19H22BrN — CID 115418519

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(N[C@@H](C)c2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C19H22BrN/c1-13-10-11-19(18-9-4-3-8-17(13)18)21-14(2)15-6-5-7-16(20)12-15/h3-9,12-14,19,21H,10-11H2,1-2H3/t13?,14-,19?/m0/s1
InChIKeyRWMXZUMPBIGFLO-BIWSTMPVSA-N
MW344.30 g/mol
LogP5.74
Rot. Bonds3

About N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115418519) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115418519
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(N[C@@H](C)c2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C19H22BrN/c1-13-10-11-19(18-9-4-3-8-17(13)18)21-14(2)15-6-5-7-16(20)12-15/h3-9,12-14,19,21H,10-11H2,1-2H3/t13?,14-,19?/m0/s1
InChIKeyRWMXZUMPBIGFLO-BIWSTMPVSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418510
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517
4-methyl-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301993
N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981009
N-[1-(3-bromophenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148988
N-[1-(3-bromophenyl)ethyl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687055
5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81382181
(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81381354
N-[1-(furan-2-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81302193
(2R)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-phenylethanol
CID 103788778

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115418519) is N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CCC(N[C@@H](C)c2cccc(Br)c2)c2ccccc21.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RWMXZUMPBIGFLO-BIWSTMPVSA-N. The full InChI is InChI=1S/C19H22BrN/c1-13-10-11-19(18-9-4-3-8-17(13)18)21-14(2)15-6-5-7-16(20)12-15/h3-9,12-14,19,21H,10-11H2,1-2H3/t13?,14-,19?/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 344.30 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115418519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).