N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine

C14H20BrNO — CID 61401371

IUPACN-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-17-14-8-3-2-7-13(14)16-10-11-5-4-6-12(15)9-11/h4-6,9,13-14,16H,2-3,7-8,10H2,1H3
InChIKeyGRRSVYPOJKPPKW-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.50
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine

N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine (PubChem CID 61401371) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
PubChem CID61401371
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-17-14-8-3-2-7-13(14)16-10-11-5-4-6-12(15)9-11/h4-6,9,13-14,16H,2-3,7-8,10H2,1H3
InChIKeyGRRSVYPOJKPPKW-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-1-N,2-N-bis[(3-bromophenyl)methyl]cyclohexane-1,2-diamine
CID 51041024
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
CID 103248532
N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine
CID 63454758
2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 63045556
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine
CID 112582298
5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline
CID 62087722
N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 63645558
N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 3116423

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine (CID 61401371) is N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine?
The InChIKey is GRRSVYPOJKPPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-17-14-8-3-2-7-13(14)16-10-11-5-4-6-12(15)9-11/h4-6,9,13-14,16H,2-3,7-8,10H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine?
N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 61401371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).