N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine

C15H25NO2 — CID 113368973

IUPACN-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine
SMILESCCCC(NCC(COC)OC)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-8-15(13-9-6-5-7-10-13)16-11-14(18-3)12-17-2/h5-7,9-10,14-16H,4,8,11-12H2,1-3H3
InChIKeyGPTLZHNTEUOAEI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.78
Rot. Bonds9

About N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine

N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine (PubChem CID 113368973) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine
PubChem CID113368973
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine
SMILESCCCC(NCC(COC)OC)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-8-15(13-9-6-5-7-10-13)16-11-14(18-3)12-17-2/h5-7,9-10,14-16H,4,8,11-12H2,1-3H3
InChIKeyGPTLZHNTEUOAEI-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
CID 104628715
2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
CID 107095421
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine
CID 103903827
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 62844460
N-(2-methoxypropyl)-1-phenylpentan-1-amine
CID 102696616
N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine
CID 114100553
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099
6,8-dimethoxyoctan-4-ylbenzene
CID 175195889

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine?
The IUPAC name of N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine (CID 113368973) is N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine.
What is the SMILES notation for N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine?
The canonical SMILES for N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine is CCCC(NCC(COC)OC)c1ccccc1.
What is the InChIKey of N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine?
The InChIKey is GPTLZHNTEUOAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-8-15(13-9-6-5-7-10-13)16-11-14(18-3)12-17-2/h5-7,9-10,14-16H,4,8,11-12H2,1-3H3.
What are the key properties of N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine?
N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 113368973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).