N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine

C19H25NO — CID 62485606

IUPACN-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COCCCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-2-20-15-18-10-6-11-19(14-18)16-21-13-7-12-17-8-4-3-5-9-17/h3-6,8-11,14,20H,2,7,12-13,15-16H2,1H3
InChIKeyJCPXGDIPGCYOHY-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.95
Rot. Bonds9

About N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine

N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine (PubChem CID 62485606) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine
PubChem CID62485606
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COCCCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-2-20-15-18-10-6-11-19(14-18)16-21-13-7-12-17-8-4-3-5-9-17/h3-6,8-11,14,20H,2,7,12-13,15-16H2,1H3
InChIKeyJCPXGDIPGCYOHY-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine
CID 79112977
N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
CID 62445525
N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
CID 62460949
N-[[3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]ethanamine
CID 106667655
N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine
CID 102740885
N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 82831547
3-[3-(benzylamino)propoxymethyl]phenol
CID 114782855
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
3-(3-phenylpropoxymethyl)benzohydrazide
CID 63569149
2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62451172
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine (CID 62485606) is N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine is CCNCc1cccc(COCCCc2ccccc2)c1.
What is the InChIKey of N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is JCPXGDIPGCYOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-20-15-18-10-6-11-19(14-18)16-21-13-7-12-17-8-4-3-5-9-17/h3-6,8-11,14,20H,2,7,12-13,15-16H2,1H3.
What are the key properties of N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine?
N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62485606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).