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

C12H18BrN — CID 61400861

IUPACN-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1cccc(Br)c1
InChIInChI=1S/C12H18BrN/c1-3-10(2)8-14-9-11-5-4-6-12(13)7-11/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyJRWPSNQCCOYKBQ-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.58
Rot. Bonds5

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

N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine (PubChem CID 61400861) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
PubChem CID61400861
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC NameN-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1cccc(Br)c1
InChIInChI=1S/C12H18BrN/c1-3-10(2)8-14-9-11-5-4-6-12(13)7-11/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyJRWPSNQCCOYKBQ-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65024298
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine
CID 60657346
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
N-[(3-bromophenyl)methyl]butan-2-amine;hydrochloride
CID 17291404
5-[(3-bromophenyl)methylamino]-2-methylpentan-1-ol
CID 103859555
1-[(3-bromophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 61401180
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43180724
N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine
CID 65024410
2-[(3-bromophenyl)methyl]-4-methyl-N-propylhexan-1-amine
CID 55195268
N-[(3-bromophenyl)methyl]-5-chloro-4-methylpentan-1-amine
CID 106153014

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine (CID 61400861) is N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine is CCC(C)CNCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is JRWPSNQCCOYKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-3-10(2)8-14-9-11-5-4-6-12(13)7-11/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine?
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine has a molecular weight of 256.19 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 61400861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).