2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine

C15H24BrNO — CID 113382947

IUPAC2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine
SMILESCCNCC(Cc1ccccc1Br)CC(C)OC
InChIInChI=1S/C15H24BrNO/c1-4-17-11-13(9-12(2)18-3)10-14-7-5-6-8-15(14)16/h5-8,12-13,17H,4,9-11H2,1-3H3
InChIKeyAQRCLNLVDCNMHY-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.64
Rot. Bonds8

About 2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine

2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine (PubChem CID 113382947) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine
PubChem CID113382947
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine
SMILESCCNCC(Cc1ccccc1Br)CC(C)OC
InChIInChI=1S/C15H24BrNO/c1-4-17-11-13(9-12(2)18-3)10-14-7-5-6-8-15(14)16/h5-8,12-13,17H,4,9-11H2,1-3H3
InChIKeyAQRCLNLVDCNMHY-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine
CID 63520892
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CID 63522301
2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
CID 55221533
2-[(2-bromophenyl)methyl]-N-ethyldecan-1-amine
CID 63521420
2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82926038
2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 62515117
2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 65327017
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773561
1-bromo-2-(2,2-dimethoxyethyl)benzene
CID 11032130
2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine
CID 62719056
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine (CID 113382947) is 2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine is CCNCC(Cc1ccccc1Br)CC(C)OC.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine?
The InChIKey is AQRCLNLVDCNMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-17-11-13(9-12(2)18-3)10-14-7-5-6-8-15(14)16/h5-8,12-13,17H,4,9-11H2,1-3H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine?
2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine is sourced from PubChem (CID 113382947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).