(2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine

C19H24ClNO2 — CID 7446049

IUPAC(2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
SMILESCOc1ccc(C[C@H](C)NCCc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H24ClNO2/c1-14(21-10-9-15-5-4-6-17(20)12-15)11-16-7-8-18(22-2)19(13-16)23-3/h4-8,12-14,21H,9-11H2,1-3H3/t14-/m0/s1
InChIKeyZOYFTYFFKMZGGJ-AWEZNQCLSA-N
MW333.86 g/mol
LogP4.12
Rot. Bonds8

About (2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine

(2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine (PubChem CID 7446049) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is (2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
PubChem CID7446049
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name(2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
SMILESCOc1ccc(C[C@H](C)NCCc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H24ClNO2/c1-14(21-10-9-15-5-4-6-17(20)12-15)11-16-7-8-18(22-2)19(13-16)23-3/h4-8,12-14,21H,9-11H2,1-3H3/t14-/m0/s1
InChIKeyZOYFTYFFKMZGGJ-AWEZNQCLSA-N
XLogP4.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 11222686
2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium
CID 7446050
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119164539
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
2-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 55525636
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3,3-trifluoropropan-1-amine
CID 63225927
methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate
CID 54061917
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 26512399
N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57156795

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine?
The IUPAC name of (2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine (CID 7446049) is (2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for (2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for (2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine is COc1ccc(C[C@H](C)NCCc2cccc(Cl)c2)cc1OC.
What is the InChIKey of (2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine?
The InChIKey is ZOYFTYFFKMZGGJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-14(21-10-9-15-5-4-6-17(20)12-15)11-16-7-8-18(22-2)19(13-16)23-3/h4-8,12-14,21H,9-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine?
(2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine has a molecular weight of 333.86 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 7446049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).