N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine

C15H21BrClN — CID 113471460

IUPACN-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(Br)cc2Cl)CCC1
InChIInChI=1S/C15H21BrClN/c1-11(2)18-10-15(6-3-7-15)9-12-4-5-13(16)8-14(12)17/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3
InChIKeySVTNEKMAYPYAQF-UHFFFAOYSA-N
MW330.70 g/mol
LogP4.81
Rot. Bonds5

About N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine

N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine (PubChem CID 113471460) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine
PubChem CID113471460
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC NameN-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(Br)cc2Cl)CCC1
InChIInChI=1S/C15H21BrClN/c1-11(2)18-10-15(6-3-7-15)9-12-4-5-13(16)8-14(12)17/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3
InChIKeySVTNEKMAYPYAQF-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.70
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194612
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106869510
N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 114858583
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024461
N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 103049761
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 106869506
N-[[1-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63507856
1-[(4-bromo-2-chlorophenyl)methyl]cycloheptan-1-amine
CID 113471164
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 102859001
2-(4-bromo-2-chlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105181702
N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718189
1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 55194513

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine (CID 113471460) is N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine is CC(C)NCC1(Cc2ccc(Br)cc2Cl)CCC1.
What is the InChIKey of N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The InChIKey is SVTNEKMAYPYAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-11(2)18-10-15(6-3-7-15)9-12-4-5-13(16)8-14(12)17/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine?
N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine has a molecular weight of 330.70 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 113471460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).