1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine

C18H29NO — CID 62600838

IUPAC1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1)CC1CCOCC1
InChIInChI=1S/C18H29NO/c1-2-12-19-18(15-17-10-13-20-14-11-17)9-8-16-6-4-3-5-7-16/h3-7,17-19H,2,8-15H2,1H3
InChIKeyFKRPWUQKZFPCGQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.80
Rot. Bonds8

About 1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine

1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine (PubChem CID 62600838) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
PubChem CID62600838
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1)CC1CCOCC1
InChIInChI=1S/C18H29NO/c1-2-12-19-18(15-17-10-13-20-14-11-17)9-8-16-6-4-3-5-7-16/h3-7,17-19H,2,8-15H2,1H3
InChIKeyFKRPWUQKZFPCGQ-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 105138737
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421
5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105139780
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105138992
1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
CID 105135868
1-(3-bromophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 62600989
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 62600579
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217
1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine
CID 79092648
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine?
The IUPAC name of 1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine (CID 62600838) is 1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine is CCCNC(CCc1ccccc1)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine?
The InChIKey is FKRPWUQKZFPCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-12-19-18(15-17-10-13-20-14-11-17)9-8-16-6-4-3-5-7-16/h3-7,17-19H,2,8-15H2,1H3.
What are the key properties of 1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine?
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine is sourced from PubChem (CID 62600838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).