N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine

C14H17N2OP — CID 176995140

IUPACN-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine
SMILESCOc1cccc(CNC(P)c2cccnc2)c1
InChIInChI=1S/C14H17N2OP/c1-17-13-6-2-4-11(8-13)9-16-14(18)12-5-3-7-15-10-12/h2-8,10,14,16H,9,18H2,1H3
InChIKeyLFXQTLLYAWJUNM-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.75
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine

N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine (PubChem CID 176995140) has the molecular formula C14H17N2OP and a molecular weight of 260.28 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine
PubChem CID176995140
Molecular FormulaC14H17N2OP
Molecular Weight260.28 g/mol
Exact Mass260.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine
SMILESCOc1cccc(CNC(P)c2cccnc2)c1
InChIInChI=1S/C14H17N2OP/c1-17-13-6-2-4-11(8-13)9-16-14(18)12-5-3-7-15-10-12/h2-8,10,14,16H,9,18H2,1H3
InChIKeyLFXQTLLYAWJUNM-UHFFFAOYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine
CID 75514113
N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane
CID 176995318
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563312
(2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid
CID 125491469
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
3-[[3-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenoxy]methyl]benzonitrile
CID 51952383
1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine
CID 22391578
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine (CID 176995140) is N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine is COc1cccc(CNC(P)c2cccnc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine?
The InChIKey is LFXQTLLYAWJUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2OP/c1-17-13-6-2-4-11(8-13)9-16-14(18)12-5-3-7-15-10-12/h2-8,10,14,16H,9,18H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine?
N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine has a molecular weight of 260.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 176995140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).