N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine

C15H22BrNO — CID 81359504

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine
SMILESCOC1CCCC(N[C@@H](C)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrNO/c1-11(12-6-8-13(16)9-7-12)17-14-4-3-5-15(10-14)18-2/h6-9,11,14-15,17H,3-5,10H2,1-2H3/t11-,14?,15?/m0/s1
InChIKeyQBNBWIKLMWSHOQ-QGLTVNCISA-N
MW312.25 g/mol
LogP4.06
Rot. Bonds4

About N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine

N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine (PubChem CID 81359504) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine
PubChem CID81359504
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine
SMILESCOC1CCCC(N[C@@H](C)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrNO/c1-11(12-6-8-13(16)9-7-12)17-14-4-3-5-15(10-14)18-2/h6-9,11,14-15,17H,3-5,10H2,1-2H3/t11-,14?,15?/m0/s1
InChIKeyQBNBWIKLMWSHOQ-QGLTVNCISA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64624415
N-[1-(4-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43215999
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415
3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol
CID 43751203
[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea
CID 103904097
N-[1-(4-bromophenyl)propyl]-3-methoxycyclopentan-1-amine
CID 103080693
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 114985913
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401608
N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81353587
N-[(1S)-1-(4-bromophenyl)ethyl]-4-tert-butylcycloheptan-1-amine
CID 81356835
N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584402

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine (CID 81359504) is N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine is COC1CCCC(N[C@@H](C)c2ccc(Br)cc2)C1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine?
The InChIKey is QBNBWIKLMWSHOQ-QGLTVNCISA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(12-6-8-13(16)9-7-12)17-14-4-3-5-15(10-14)18-2/h6-9,11,14-15,17H,3-5,10H2,1-2H3/t11-,14?,15?/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine?
N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine is sourced from PubChem (CID 81359504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).