N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine

C18H22ClNO — CID 81362729

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)N[C@H](C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClNO/c1-13(11-15-7-9-18(21-3)10-8-15)20-14(2)16-5-4-6-17(19)12-16/h4-10,12-14,20H,11H2,1-3H3/t13?,14-/m1/s1
InChIKeyPSXGTEQXLYUNCB-ARLHGKGLSA-N
MW303.83 g/mol
LogP4.63
Rot. Bonds6

About N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine (PubChem CID 81362729) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
PubChem CID81362729
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)N[C@H](C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClNO/c1-13(11-15-7-9-18(21-3)10-8-15)20-14(2)16-5-4-6-17(19)12-16/h4-10,12-14,20H,11H2,1-3H3/t13?,14-/m1/s1
InChIKeyPSXGTEQXLYUNCB-ARLHGKGLSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
CID 81337841
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 43078961
2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 155375375
(2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 175732345
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
1-(4-methoxyphenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81354714

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine (CID 81362729) is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine is COc1ccc(CC(C)N[C@H](C)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
The InChIKey is PSXGTEQXLYUNCB-ARLHGKGLSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(11-15-7-9-18(21-3)10-8-15)20-14(2)16-5-4-6-17(19)12-16/h4-10,12-14,20H,11H2,1-3H3/t13?,14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine?
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 81362729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).