1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine

C17H27NO — CID 115794372

IUPAC1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)C1CCCCO1
InChIInChI=1S/C17H27NO/c1-2-13-18-16(17-10-6-7-14-19-17)12-11-15-8-4-3-5-9-15/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3
InChIKeySSPTVKGUYSFMSB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.56
Rot. Bonds7

About 1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine

1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine (PubChem CID 115794372) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
PubChem CID115794372
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)C1CCCCO1
InChIInChI=1S/C17H27NO/c1-2-13-18-16(17-10-6-7-14-19-17)12-11-15-8-4-3-5-9-15/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3
InChIKeySSPTVKGUYSFMSB-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
1-(1,4-dioxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 65352692
1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine
CID 115793737
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034736
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843397
N-[2-(2-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105032641
N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 102866337
methyl 2-(oxan-2-yl)-4-phenylbutanoate
CID 175424806
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476
N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105035660
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421
N-[2-(5-bromo-2-pyridinyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105036459

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine?
The IUPAC name of 1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine (CID 115794372) is 1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine is CCCNC(CCc1ccccc1)C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine?
The InChIKey is SSPTVKGUYSFMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-13-18-16(17-10-6-7-14-19-17)12-11-15-8-4-3-5-9-15/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3.
What are the key properties of 1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine?
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 115794372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).