N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H19BrClN — CID 82775610

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(NC1CCCc2ccccc21)c1ccc(Br)cc1Cl
InChIInChI=1S/C18H19BrClN/c1-12(15-10-9-14(19)11-17(15)20)21-18-8-4-6-13-5-2-3-7-16(13)18/h2-3,5,7,9-12,18,21H,4,6,8H2,1H3
InChIKeyILJNVDICBRDQLM-UHFFFAOYSA-N
MW364.71 g/mol
LogP5.83
Rot. Bonds3

About N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 82775610) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID82775610
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(NC1CCCc2ccccc21)c1ccc(Br)cc1Cl
InChIInChI=1S/C18H19BrClN/c1-12(15-10-9-14(19)11-17(15)20)21-18-8-4-6-13-5-2-3-7-16(13)18/h2-3,5,7,9-12,18,21H,4,6,8H2,1H3
InChIKeyILJNVDICBRDQLM-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.71
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82964579
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43111218
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83057984
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
3-[1-(4-bromo-2-chlorophenyl)ethylamino]azepan-2-one
CID 82774186
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43204364
5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81382181
N-[1-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43110261
(2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103894761

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 82775610) is N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CC(NC1CCCc2ccccc21)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ILJNVDICBRDQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN/c1-12(15-10-9-14(19)11-17(15)20)21-18-8-4-6-13-5-2-3-7-16(13)18/h2-3,5,7,9-12,18,21H,4,6,8H2,1H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 364.71 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 82775610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).