N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine

C12H16BrNO — CID 117219999

IUPACN-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
SMILESCOc1cc(CNC2CCC2)ccc1Br
InChIInChI=1S/C12H16BrNO/c1-15-12-7-9(5-6-11(12)13)8-14-10-3-2-4-10/h5-7,10,14H,2-4,8H2,1H3
InChIKeyYMAAITREVYVSHN-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.10
Rot. Bonds4

About N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine

N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine (PubChem CID 117219999) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
PubChem CID117219999
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
SMILESCOc1cc(CNC2CCC2)ccc1Br
InChIInChI=1S/C12H16BrNO/c1-15-12-7-9(5-6-11(12)13)8-14-10-3-2-4-10/h5-7,10,14H,2-4,8H2,1H3
InChIKeyYMAAITREVYVSHN-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64743158
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65082764
4-[(cyclopentylamino)methyl]-2-methoxybenzoic acid
CID 117220016
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]cycloheptanamine
CID 791926
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 4721583
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine
CID 107342333

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine (CID 117219999) is N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine is COc1cc(CNC2CCC2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine?
The InChIKey is YMAAITREVYVSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-15-12-7-9(5-6-11(12)13)8-14-10-3-2-4-10/h5-7,10,14H,2-4,8H2,1H3.
What are the key properties of N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine?
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine has a molecular weight of 270.17 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine is sourced from PubChem (CID 117219999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).