1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine

C18H22ClNO — CID 43221556

IUPAC1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1ccccc1CNC(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-13(2)21-18-7-5-4-6-16(18)12-20-14(3)15-8-10-17(19)11-9-15/h4-11,13-14,20H,12H2,1-3H3
InChIKeySASWGFYXECJULX-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.98
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine

1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 43221556) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID43221556
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1ccccc1CNC(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-13(2)21-18-7-5-4-6-16(18)12-20-14(3)15-8-10-17(19)11-9-15/h4-11,13-14,20H,12H2,1-3H3
InChIKeySASWGFYXECJULX-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81362672
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
(1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375155
1-(4-chlorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61372938
2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile
CID 60693747
1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791683
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
CID 28661741
(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
CID 81356331
1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 176995355
3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 55259412
N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 115664149
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 30621148

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine (CID 43221556) is 1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine is CC(C)Oc1ccccc1CNC(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is SASWGFYXECJULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(2)21-18-7-5-4-6-16(18)12-20-14(3)15-8-10-17(19)11-9-15/h4-11,13-14,20H,12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43221556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).