2-[(2-chlorophenyl)methoxy]pentan-1-amine

C12H18ClNO — CID 83044971

IUPAC2-[(2-chlorophenyl)methoxy]pentan-1-amine
SMILESCCCC(CN)OCc1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-2-5-11(8-14)15-9-10-6-3-4-7-12(10)13/h3-4,6-7,11H,2,5,8-9,14H2,1H3
InChIKeyNCRKPTQDSDFMLJ-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.98
Rot. Bonds6

About 2-[(2-chlorophenyl)methoxy]pentan-1-amine

2-[(2-chlorophenyl)methoxy]pentan-1-amine (PubChem CID 83044971) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]pentan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]pentan-1-amine
PubChem CID83044971
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name2-[(2-chlorophenyl)methoxy]pentan-1-amine
SMILESCCCC(CN)OCc1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-2-5-11(8-14)15-9-10-6-3-4-7-12(10)13/h3-4,6-7,11H,2,5,8-9,14H2,1H3
InChIKeyNCRKPTQDSDFMLJ-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine
CID 63069709
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methoxy]ethanamine
CID 55022331
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386
2-[(2-chlorophenyl)methoxy]-2-(4-fluorophenyl)ethanamine
CID 55015171
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774
(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate
CID 107837533
2-[(2-chlorophenyl)methoxy]propanoic acid
CID 24699510
4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide
CID 114227270
N-[2-[(2-chlorophenyl)methoxy]-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227796
N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine
CID 62565595
(2S)-2-(2-chlorophenoxy)butan-1-amine
CID 94266424
2-[(2-chlorophenyl)methoxy]-2-phenylacetohydrazide
CID 63588720

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]pentan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]pentan-1-amine (CID 83044971) is 2-[(2-chlorophenyl)methoxy]pentan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]pentan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]pentan-1-amine is CCCC(CN)OCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]pentan-1-amine?
The InChIKey is NCRKPTQDSDFMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-2-5-11(8-14)15-9-10-6-3-4-7-12(10)13/h3-4,6-7,11H,2,5,8-9,14H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methoxy]pentan-1-amine?
2-[(2-chlorophenyl)methoxy]pentan-1-amine has a molecular weight of 227.74 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]pentan-1-amine is sourced from PubChem (CID 83044971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).