(1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine

C16H19ClN2O — CID 129359313

IUPAC(1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCOC[C@H](c1ccc(Cl)cc1)N(C)Cc1ccccn1
InChIInChI=1S/C16H19ClN2O/c1-19(11-15-5-3-4-10-18-15)16(12-20-2)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3/t16-/m1/s1
InChIKeyVQPSDNCKPSVRIC-MRXNPFEDSA-N
MW290.79 g/mol
LogP3.55
Rot. Bonds6

About (1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine

(1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 129359313) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID129359313
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name(1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCOC[C@H](c1ccc(Cl)cc1)N(C)Cc1ccccn1
InChIInChI=1S/C16H19ClN2O/c1-19(11-15-5-3-4-10-18-15)16(12-20-2)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3/t16-/m1/s1
InChIKeyVQPSDNCKPSVRIC-MRXNPFEDSA-N
XLogP3.55
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564825
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 114842894
1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564737
(1R)-2-methoxy-N-methyl-1-pyridin-2-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 124751761
1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 82538527
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 95710512
N-methoxy-N-(pyridin-2-ylmethyl)ethanamine
CID 59512202
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
CID 50957317

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine (CID 129359313) is (1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine is COC[C@H](c1ccc(Cl)cc1)N(C)Cc1ccccn1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is VQPSDNCKPSVRIC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(11-15-5-3-4-10-18-15)16(12-20-2)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine?
(1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 290.79 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 129359313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).