N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine

C19H25NO — CID 70694658

IUPACN-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine
SMILESCN(CCOCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-20(17-19-11-6-3-7-12-19)14-16-21-15-8-13-18-9-4-2-5-10-18/h2-7,9-12H,8,13-17H2,1H3
InChIKeyHHMSWMRBJQRNHE-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.77
Rot. Bonds9

About N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine

N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine (PubChem CID 70694658) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine
PubChem CID70694658
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine
SMILESCN(CCOCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-20(17-19-11-6-3-7-12-19)14-16-21-15-8-13-18-9-4-2-5-10-18/h2-7,9-12H,8,13-17H2,1H3
InChIKeyHHMSWMRBJQRNHE-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70694657
3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 176613357
N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70682052
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
N-[3-[2-[benzyl(methyl)amino]ethoxy]propylcarbamoyl]-N-sulfanylbenzamide
CID 57080652
4-[4-[benzyl(methyl)amino]butyl]phenol
CID 82188000
N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine
CID 22974533
8-(8-phenyloctoxy)octylbenzene
CID 56628536
3-decoxypropylbenzene
CID 150065328
3-[[methyl-[3-(2-phenylethoxy)propyl]amino]methyl]benzonitrile
CID 87013174
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 175886823
N-[2-[5-(1,3-dihydroisoindol-2-yl)pentoxy]ethyl]-N-methyl-2-phenylethanamine
CID 141187614

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine?
The IUPAC name of N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine (CID 70694658) is N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine.
What is the SMILES notation for N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine?
The canonical SMILES for N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine is CN(CCOCCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine?
The InChIKey is HHMSWMRBJQRNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-20(17-19-11-6-3-7-12-19)14-16-21-15-8-13-18-9-4-2-5-10-18/h2-7,9-12H,8,13-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine?
N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine is sourced from PubChem (CID 70694658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).