2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine

C16H24BrN — CID 63399753

IUPAC2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1ccccc1Br
InChIInChI=1S/C16H24BrN/c1-2-11-18-16-10-6-4-8-14(16)12-13-7-3-5-9-15(13)17/h3,5,7,9,14,16,18H,2,4,6,8,10-12H2,1H3
InChIKeyIBXWPLQJSJQNIF-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.55
Rot. Bonds5

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

2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 63399753) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
PubChem CID63399753
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1ccccc1Br
InChIInChI=1S/C16H24BrN/c1-2-11-18-16-10-6-4-8-14(16)12-13-7-3-5-9-15(13)17/h3,5,7,9,14,16,18H,2,4,6,8,10-12H2,1H3
InChIKeyIBXWPLQJSJQNIF-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62610873
2-[(2-bromo-4-nitrophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399835
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 102856547
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 104792663
2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 114930724
2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64614544
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
CID 63403346
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 55185583
2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 54957693

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine (CID 63399753) is 2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is IBXWPLQJSJQNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-2-11-18-16-10-6-4-8-14(16)12-13-7-3-5-9-15(13)17/h3,5,7,9,14,16,18H,2,4,6,8,10-12H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine?
2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63399753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).