N-(1,3-diphenylpropoxy)-N-methylmethanamine

C17H21NO — CID 13095117

IUPACN-(1,3-diphenylpropoxy)-N-methylmethanamine
SMILESCN(C)OC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-18(2)19-17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3
InChIKeyQJZYPWNIGSYLIW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.85
Rot. Bonds6

About N-(1,3-diphenylpropoxy)-N-methylmethanamine

N-(1,3-diphenylpropoxy)-N-methylmethanamine (PubChem CID 13095117) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1,3-diphenylpropoxy)-N-methylmethanamine.

Molecular Properties

Compound NameN-(1,3-diphenylpropoxy)-N-methylmethanamine
PubChem CID13095117
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-(1,3-diphenylpropoxy)-N-methylmethanamine
SMILESCN(C)OC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-18(2)19-17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3
InChIKeyQJZYPWNIGSYLIW-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1,3-diphenylpropoxy]methanethioic S-acid
CID 146180519
1,3-diphenylpropyl carbamate
CID 154100927
N-methyl-1,3-diphenyl-N-propan-2-ylpropan-1-amine
CID 18790245
1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene
CID 141324815
O-(1,3-diphenylpropyl) pyrrolidine-1-carbothioate
CID 86100498
(2R)-4-phenylbutane-2-thiol
CID 28974861
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
(1S)-1-(dimethylamino)-3-phenylpropan-1-ol
CID 54291399
N,N-dimethyl-1-phenyl-1-[2-(2-phenylethyl)phenyl]methanamine
CID 90903572
N-methyl-4-phenyl-N-propylbutan-2-amine
CID 90881559
N,N,4-trimethyl-1-phenylhexan-3-amine
CID 54141645
N,N-dimethyl-4,8-diphenyloctan-1-amine
CID 13230987

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropoxy)-N-methylmethanamine?
The IUPAC name of N-(1,3-diphenylpropoxy)-N-methylmethanamine (CID 13095117) is N-(1,3-diphenylpropoxy)-N-methylmethanamine.
What is the SMILES notation for N-(1,3-diphenylpropoxy)-N-methylmethanamine?
The canonical SMILES for N-(1,3-diphenylpropoxy)-N-methylmethanamine is CN(C)OC(CCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,3-diphenylpropoxy)-N-methylmethanamine?
The InChIKey is QJZYPWNIGSYLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18(2)19-17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3.
What are the key properties of N-(1,3-diphenylpropoxy)-N-methylmethanamine?
N-(1,3-diphenylpropoxy)-N-methylmethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropoxy)-N-methylmethanamine is sourced from PubChem (CID 13095117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).