1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine

C18H22ClNO — CID 43677385

IUPAC1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
SMILESCCOc1ccccc1CNC(C)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-3-21-18-11-7-5-9-16(18)13-20-14(2)12-15-8-4-6-10-17(15)19/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyKFPYURDUOICIIR-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.46
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine

1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine (PubChem CID 43677385) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
PubChem CID43677385
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
SMILESCCOc1ccccc1CNC(C)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-3-21-18-11-7-5-9-16(18)13-20-14(2)12-15-8-4-6-10-17(15)19/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyKFPYURDUOICIIR-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717039
N-[(2-ethoxyphenyl)methyl]pentan-2-amine
CID 43177718
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
CID 63843803
1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine
CID 63428003
2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol
CID 18628145
(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652621
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43234899
2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol
CID 115951107
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
CID 43677533

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine (CID 43677385) is 1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine is CCOc1ccccc1CNC(C)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine?
The InChIKey is KFPYURDUOICIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-21-18-11-7-5-9-16(18)13-20-14(2)12-15-8-4-6-10-17(15)19/h4-11,14,20H,3,12-13H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine?
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43677385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).