N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C18H26BrN — CID 81353587

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC[C@@H](NC1CCC2CCCCC2C1)c1ccc(Br)cc1
InChIInChI=1S/C18H26BrN/c1-13(14-6-9-17(19)10-7-14)20-18-11-8-15-4-2-3-5-16(15)12-18/h6-7,9-10,13,15-16,18,20H,2-5,8,11-12H2,1H3/t13-,15?,16?,18?/m1/s1
InChIKeyVVWHNFKVFPSTCM-ZGJUNIKESA-N
MW336.32 g/mol
LogP5.46
Rot. Bonds3

About N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 81353587) has the molecular formula C18H26BrN and a molecular weight of 336.32 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID81353587
Molecular FormulaC18H26BrN
Molecular Weight336.32 g/mol
Exact Mass335.12
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC[C@@H](NC1CCC2CCCCC2C1)c1ccc(Br)cc1
InChIInChI=1S/C18H26BrN/c1-13(14-6-9-17(19)10-7-14)20-18-11-8-15-4-2-3-5-16(15)12-18/h6-7,9-10,13,15-16,18,20H,2-5,8,11-12H2,1H3/t13-,15?,16?,18?/m1/s1
InChIKeyVVWHNFKVFPSTCM-ZGJUNIKESA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.32
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64624415
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81406202
3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine
CID 64593706
N-[1-(4-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43215999
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43223783
3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 81350676
3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol
CID 43751203
N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43080674
N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine
CID 81359504
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81407407
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 114985913

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 81353587) is N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C[C@@H](NC1CCC2CCCCC2C1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is VVWHNFKVFPSTCM-ZGJUNIKESA-N. The full InChI is InChI=1S/C18H26BrN/c1-13(14-6-9-17(19)10-7-14)20-18-11-8-15-4-2-3-5-16(15)12-18/h6-7,9-10,13,15-16,18,20H,2-5,8,11-12H2,1H3/t13-,15?,16?,18?/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 336.32 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 81353587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).