2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine

C17H29NO — CID 62451172

IUPAC2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCCCOCc1cccc(CNCC(C)C)c1
InChIInChI=1S/C17H29NO/c1-4-5-6-10-19-14-17-9-7-8-16(11-17)13-18-12-15(2)3/h7-9,11,15,18H,4-6,10,12-14H2,1-3H3
InChIKeyDXJAEGFBEQWHDG-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.14
Rot. Bonds10

About 2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine

2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine (PubChem CID 62451172) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine
PubChem CID62451172
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCCCOCc1cccc(CNCC(C)C)c1
InChIInChI=1S/C17H29NO/c1-4-5-6-10-19-14-17-9-7-8-16(11-17)13-18-12-15(2)3/h7-9,11,15,18H,4-6,10,12-14H2,1-3H3
InChIKeyDXJAEGFBEQWHDG-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.14
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-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62445450
N-[[4-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63492309
N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457094
N-[[3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63492481
N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
CID 62445525
2-methyl-N-[[3-(2-thiophen-2-ylethoxymethyl)phenyl]methyl]propan-1-amine
CID 62485809
N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558203
2-methyl-N-[(3-pentylsulfanylphenyl)methyl]propan-1-amine
CID 66349687
N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine
CID 62456252
N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
CID 62422254
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine (CID 62451172) is 2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine is CCCCCOCc1cccc(CNCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine?
The InChIKey is DXJAEGFBEQWHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-5-6-10-19-14-17-9-7-8-16(11-17)13-18-12-15(2)3/h7-9,11,15,18H,4-6,10,12-14H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine?
2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62451172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).