N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine

C12H16BrN — CID 60965915

IUPACN-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
SMILESCN(Cc1ccccc1Br)CC1CC1
InChIInChI=1S/C12H16BrN/c1-14(8-10-6-7-10)9-11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3
InChIKeyHBXCMDDDWZWOEY-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.29
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine

N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine (PubChem CID 60965915) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
PubChem CID60965915
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC NameN-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
SMILESCN(Cc1ccccc1Br)CC1CC1
InChIInChI=1S/C12H16BrN/c1-14(8-10-6-7-10)9-11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3
InChIKeyHBXCMDDDWZWOEY-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62614610
2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol
CID 55094820
4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine
CID 115213756
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine
CID 114421302
3-[[(2-bromophenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059515
4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627710
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 120858313
3-bromo-4-[[cyclopropylmethyl(methyl)amino]methyl]benzoic acid
CID 102767076
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
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2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62610873

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine (CID 60965915) is N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine is CN(Cc1ccccc1Br)CC1CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine?
The InChIKey is HBXCMDDDWZWOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-14(8-10-6-7-10)9-11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine?
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine has a molecular weight of 254.17 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 60965915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).