N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine

C14H19BrClN — CID 114076540

IUPACN-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine
SMILESCCC(CC1CC1)NCc1cc(Br)ccc1Cl
InChIInChI=1S/C14H19BrClN/c1-2-13(7-10-3-4-10)17-9-11-8-12(15)5-6-14(11)16/h5-6,8,10,13,17H,2-4,7,9H2,1H3
InChIKeyGZRSTGOZEAZHSP-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.77
Rot. Bonds6

About N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine

N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine (PubChem CID 114076540) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine
PubChem CID114076540
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC NameN-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine
SMILESCCC(CC1CC1)NCc1cc(Br)ccc1Cl
InChIInChI=1S/C14H19BrClN/c1-2-13(7-10-3-4-10)17-9-11-8-12(15)5-6-14(11)16/h5-6,8,10,13,17H,2-4,7,9H2,1H3
InChIKeyGZRSTGOZEAZHSP-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(5-bromo-2-chlorophenyl)methylamino]pentanenitrile
CID 104695344
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CID 107740810
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
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N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986286
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine
CID 66393771
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
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3-[(5-bromo-2-chlorophenyl)methylamino]-2-methylbutan-1-ol
CID 115732589
(2R)-2-[(2,5-dichlorophenyl)methylamino]butan-1-ol
CID 96919096
4-bromo-N-(1-cyclopropylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 65484790
5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine
CID 103582526
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CID 103792951

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine (CID 114076540) is N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine is CCC(CC1CC1)NCc1cc(Br)ccc1Cl.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine?
The InChIKey is GZRSTGOZEAZHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c1-2-13(7-10-3-4-10)17-9-11-8-12(15)5-6-14(11)16/h5-6,8,10,13,17H,2-4,7,9H2,1H3.
What are the key properties of N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine?
N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine has a molecular weight of 316.67 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine is sourced from PubChem (CID 114076540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).