2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine

C16H18ClNO — CID 105092349

IUPAC2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClNO/c1-11-6-8-13(9-7-11)16(18)12(2)19-15-5-3-4-14(17)10-15/h3-10,12,16H,18H2,1-2H3
InChIKeyXRAMWLWZCMXWHA-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.12
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine

2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine (PubChem CID 105092349) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine
PubChem CID105092349
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClNO/c1-11-6-8-13(9-7-11)16(18)12(2)19-15-5-3-4-14(17)10-15/h3-10,12,16H,18H2,1-2H3
InChIKeyXRAMWLWZCMXWHA-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine
CID 105097009
2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine
CID 105142039
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105118874
2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
CID 105094671
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine
CID 105093487
2-(4-methylphenoxy)-1-phenylpropan-1-amine
CID 18069726
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine
CID 105146009
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 102648801
[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenoxy)propyl]hydrazine
CID 107562651
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine (CID 105092349) is 2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine is Cc1ccc(C(N)C(C)Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine?
The InChIKey is XRAMWLWZCMXWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-6-8-13(9-7-11)16(18)12(2)19-15-5-3-4-14(17)10-15/h3-10,12,16H,18H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine?
2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105092349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).