1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine

C14H24N2O — CID 55142037

IUPAC1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine
SMILESCOCCCN(C)C(c1ccccc1)C(C)N
InChIInChI=1S/C14H24N2O/c1-12(15)14(13-8-5-4-6-9-13)16(2)10-7-11-17-3/h4-6,8-9,12,14H,7,10-11,15H2,1-3H3
InChIKeyGUATVCWFYCWGFW-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.04
Rot. Bonds7

About 1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine

1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine (PubChem CID 55142037) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine
PubChem CID55142037
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine
SMILESCOCCCN(C)C(c1ccccc1)C(C)N
InChIInChI=1S/C14H24N2O/c1-12(15)14(13-8-5-4-6-9-13)16(2)10-7-11-17-3/h4-6,8-9,12,14H,7,10-11,15H2,1-3H3
InChIKeyGUATVCWFYCWGFW-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 62984847
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
1-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 63694101
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine
CID 62985674
3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine
CID 51081765
1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine
CID 82960381
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
2-N-(3-methoxypropyl)-2-N-methyl-1-phenyl-1-N-propylbutane-1,2-diamine
CID 62985023
1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55019737
1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 55017455
2-amino-N-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-phenylacetamide
CID 119892857

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine (CID 55142037) is 1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine is COCCCN(C)C(c1ccccc1)C(C)N.
What is the InChIKey of 1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine?
The InChIKey is GUATVCWFYCWGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(15)14(13-8-5-4-6-9-13)16(2)10-7-11-17-3/h4-6,8-9,12,14H,7,10-11,15H2,1-3H3.
What are the key properties of 1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine?
1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 55142037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).