N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine

C15H22BrNO — CID 81359045

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-4-6-15(14)18-2/h7-11,14-15,17H,3-6H2,1-2H3/t11-,14?,15?/m0/s1
InChIKeySEWWMEISANXYGM-QGLTVNCISA-N
MW312.25 g/mol
LogP4.06
Rot. Bonds4

About N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine

N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 81359045) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID81359045
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-4-6-15(14)18-2/h7-11,14-15,17H,3-6H2,1-2H3/t11-,14?,15?/m0/s1
InChIKeySEWWMEISANXYGM-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-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43766679
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 62086759
N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43788970
N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43080246
2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine
CID 62087299
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43780431
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81378180
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine
CID 81354238
N-[(1R)-1-(4-bromophenyl)ethyl]-2-methylthian-3-amine
CID 81353696
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81396821
N-[1-(3-fluorophenyl)ethyl]-2-methoxycyclopentan-1-amine
CID 55033361

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine (CID 81359045) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The InChIKey is SEWWMEISANXYGM-QGLTVNCISA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-4-6-15(14)18-2/h7-11,14-15,17H,3-6H2,1-2H3/t11-,14?,15?/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine?
N-[(1S)-1-(4-bromophenyl)ethyl]-2-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]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 81359045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).