2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine

C13H18ClNO — CID 106930930

IUPAC2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine
SMILESNCC(COCC1CC1)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c14-13-4-2-1-3-12(13)11(7-15)9-16-8-10-5-6-10/h1-4,10-11H,5-9,15H2
InChIKeyXUQYAKHWZPWMSN-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.81
Rot. Bonds6

About 2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine

2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine (PubChem CID 106930930) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine
PubChem CID106930930
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine
SMILESNCC(COCC1CC1)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c14-13-4-2-1-3-12(13)11(7-15)9-16-8-10-5-6-10/h1-4,10-11H,5-9,15H2
InChIKeyXUQYAKHWZPWMSN-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940597
cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate
CID 107315707
3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine
CID 82107556
[1-bromo-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 65016411
2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412655
2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine
CID 79449337
(3S)-4-amino-3-(2-chlorophenyl)butanal
CID 170430906
1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 106931382
1-chloro-3-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 106931388
2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol
CID 106931301
2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine
CID 83924194
2-(2-chlorophenyl)-2-cyclobutylethanamine
CID 83688611

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine (CID 106930930) is 2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine is NCC(COCC1CC1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine?
The InChIKey is XUQYAKHWZPWMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-13-4-2-1-3-12(13)11(7-15)9-16-8-10-5-6-10/h1-4,10-11H,5-9,15H2.
What are the key properties of 2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine?
2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine has a molecular weight of 239.75 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine is sourced from PubChem (CID 106930930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).