2-(3-chloro-4-methoxyphenyl)propan-1-amine

C10H14ClNO — CID 14579475

IUPAC2-(3-chloro-4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(C)CN)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-7(6-12)8-3-4-10(13-2)9(11)5-8/h3-5,7H,6,12H2,1-2H3
InChIKeyCCYYHHQMPNVLRA-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.41
Rot. Bonds3

About 2-(3-chloro-4-methoxyphenyl)propan-1-amine

2-(3-chloro-4-methoxyphenyl)propan-1-amine (PubChem CID 14579475) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)propan-1-amine
PubChem CID14579475
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(3-chloro-4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(C)CN)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-7(6-12)8-3-4-10(13-2)9(11)5-8/h3-5,7H,6,12H2,1-2H3
InChIKeyCCYYHHQMPNVLRA-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-hex-4-yn-2-yl-1-methoxybenzene
CID 83928523
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
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1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
CID 10560966
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
CID 65384153
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658716
1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 65021962
1-(3-chloro-4-methoxyphenyl)-N-propylethane-1,2-diamine
CID 65021451
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281
2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861
5-(1-aminopropan-2-yl)-2-chloroaniline
CID 84659886

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)propan-1-amine (CID 14579475) is 2-(3-chloro-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)propan-1-amine is COc1ccc(C(C)CN)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)propan-1-amine?
The InChIKey is CCYYHHQMPNVLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7(6-12)8-3-4-10(13-2)9(11)5-8/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)propan-1-amine?
2-(3-chloro-4-methoxyphenyl)propan-1-amine has a molecular weight of 199.68 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 14579475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).