N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane

C17H23ClNOP — CID 176995318

IUPACN-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane
SMILESCC.COc1cccc(C(P)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClNOP.C2H6/c1-18-14-4-2-3-12(9-14)15(19)17-10-11-5-7-13(16)8-6-11;1-2/h2-9,15,17H,10,19H2,1H3;1-2H3
InChIKeyLLUOZMCHNOETKF-UHFFFAOYSA-N
MW323.80 g/mol
LogP5.04
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane

N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane (PubChem CID 176995318) has the molecular formula C17H23ClNOP and a molecular weight of 323.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane
PubChem CID176995318
Molecular FormulaC17H23ClNOP
Molecular Weight323.80 g/mol
Exact Mass323.12
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane
SMILESCC.COc1cccc(C(P)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClNOP.C2H6/c1-18-14-4-2-3-12(9-14)15(19)17-10-11-5-7-13(16)8-6-11;1-2/h2-9,15,17H,10,19H2,1H3;1-2H3
InChIKeyLLUOZMCHNOETKF-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.80
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 176995369
N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine
CID 176995140
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376127
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376213
N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415124
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354628
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
1-chloro-4-[[2-iodo-1-(3-methoxyphenyl)ethoxy]methyl]benzene
CID 114774472

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane (CID 176995318) is N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane is CC.COc1cccc(C(P)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane?
The InChIKey is LLUOZMCHNOETKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClNOP.C2H6/c1-18-14-4-2-3-12(9-14)15(19)17-10-11-5-7-13(16)8-6-11;1-2/h2-9,15,17H,10,19H2,1H3;1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane?
N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane has a molecular weight of 323.80 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane is sourced from PubChem (CID 176995318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).