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

C18H29NO — CID 80684951

IUPAC1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)C1(C)CCCCO1
InChIInChI=1S/C18H29NO/c1-3-14-19-17(18(2)13-7-8-15-20-18)12-11-16-9-5-4-6-10-16/h4-6,9-10,17,19H,3,7-8,11-15H2,1-2H3
InChIKeyNKTNSHPNILTLMT-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.95
Rot. Bonds7

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

1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine (PubChem CID 80684951) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine
PubChem CID80684951
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)C1(C)CCCCO1
InChIInChI=1S/C18H29NO/c1-3-14-19-17(18(2)13-7-8-15-20-18)12-11-16-9-5-4-6-10-16/h4-6,9-10,17,19H,3,7-8,11-15H2,1-2H3
InChIKeyNKTNSHPNILTLMT-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine
CID 80684297
N-[2-(4-ethylphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80685283
N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 80685111
1-(2-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103011487
N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80684973
N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
CID 80685072
N-[1-(2-methyloxolan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736619
[1-(2-methyloxolan-2-yl)-4-phenylbutyl]hydrazine
CID 105250664
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 107885030
N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 80684207
1-(2-methylthiolan-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 105139897
5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 113327153

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine (CID 80684951) is 1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine is CCCNC(CCc1ccccc1)C1(C)CCCCO1.
What is the InChIKey of 1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine?
The InChIKey is NKTNSHPNILTLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-14-19-17(18(2)13-7-8-15-20-18)12-11-16-9-5-4-6-10-16/h4-6,9-10,17,19H,3,7-8,11-15H2,1-2H3.
What are the key properties of 1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine?
1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 80684951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).