2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine

C16H18ClNO — CID 117243107

IUPAC2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine
SMILESCc1ccc(OCC(CN)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClNO/c1-12-5-7-16(8-6-12)19-11-14(10-18)13-3-2-4-15(17)9-13/h2-9,14H,10-11,18H2,1H3
InChIKeyJBSGBPIXGIYRMC-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.77
Rot. Bonds5

About 2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine

2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine (PubChem CID 117243107) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine
PubChem CID117243107
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine
SMILESCc1ccc(OCC(CN)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClNO/c1-12-5-7-16(8-6-12)19-11-14(10-18)13-3-2-4-15(17)9-13/h2-9,14H,10-11,18H2,1H3
InChIKeyJBSGBPIXGIYRMC-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-phenoxypropan-1-amine
CID 117242977
1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 117242744
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-[3-amino-2-(3-chlorophenyl)propoxy]phenol
CID 117242992
2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol
CID 117243108
2-(3-chlorophenyl)-4-methoxybutan-1-amine
CID 79443641
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine
CID 82138429
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
4-(3-chlorophenyl)heptane-1,7-diamine
CID 170878710
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
1-chloro-3-(2-phenylbutoxy)benzene
CID 70672799

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine (CID 117243107) is 2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine is Cc1ccc(OCC(CN)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine?
The InChIKey is JBSGBPIXGIYRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-5-7-16(8-6-12)19-11-14(10-18)13-3-2-4-15(17)9-13/h2-9,14H,10-11,18H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine?
2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine is sourced from PubChem (CID 117243107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).