1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine

C17H27NO — CID 60820403

IUPAC1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(C)c1)CC1CCCO1
InChIInChI=1S/C17H27NO/c1-3-9-18-16(13-17-8-5-10-19-17)12-15-7-4-6-14(2)11-15/h4,6-7,11,16-18H,3,5,8-10,12-13H2,1-2H3
InChIKeyBECFPJMFALBUDG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.47
Rot. Bonds7

About 1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine

1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine (PubChem CID 60820403) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
PubChem CID60820403
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(C)c1)CC1CCCO1
InChIInChI=1S/C17H27NO/c1-3-9-18-16(13-17-8-5-10-19-17)12-15-7-4-6-14(2)11-15/h4,6-7,11,16-18H,3,5,8-10,12-13H2,1-2H3
InChIKeyBECFPJMFALBUDG-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 63951958
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164597
1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
CID 103040443
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550383
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
1-(1,1-dioxothiolan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 105091061
1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546384
2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 62550386
1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
CID 103049082
1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 83175808
1-(3-methylphenyl)-N-propylpent-4-yn-2-amine
CID 62235336

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine (CID 60820403) is 1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine is CCCNC(Cc1cccc(C)c1)CC1CCCO1.
What is the InChIKey of 1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine?
The InChIKey is BECFPJMFALBUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-9-18-16(13-17-8-5-10-19-17)12-15-7-4-6-14(2)11-15/h4,6-7,11,16-18H,3,5,8-10,12-13H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine?
1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 60820403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).