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

C18H22ClNO — CID 63415844

IUPACN-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1ccccc1OCC
InChIInChI=1S/C18H22ClNO/c1-3-13-20-18(14-9-5-7-11-16(14)19)15-10-6-8-12-17(15)21-4-2/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyGLEAXLFYLKALFT-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.83
Rot. Bonds7

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

N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine (PubChem CID 63415844) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
PubChem CID63415844
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1ccccc1OCC
InChIInChI=1S/C18H22ClNO/c1-3-13-20-18(14-9-5-7-11-16(14)19)15-10-6-8-12-17(15)21-4-2/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyGLEAXLFYLKALFT-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62802224
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 115800974
N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 107102062
N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 115801024
N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 105394631
N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115801336
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine
CID 103444391
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115793334
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115853680

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine (CID 63415844) is N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1Cl)c1ccccc1OCC.
What is the InChIKey of N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine?
The InChIKey is GLEAXLFYLKALFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-13-20-18(14-9-5-7-11-16(14)19)15-10-6-8-12-17(15)21-4-2/h5-12,18,20H,3-4,13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine?
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63415844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).