1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine

C19H31NO — CID 115846790

IUPAC1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine
SMILESCCCNC(CC1CCOCC1)C(CC)c1ccccc1
InChIInChI=1S/C19H31NO/c1-3-12-20-19(15-16-10-13-21-14-11-16)18(4-2)17-8-6-5-7-9-17/h5-9,16,18-20H,3-4,10-15H2,1-2H3
InChIKeyPOEWKVVLKOZQAZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.37
Rot. Bonds8

About 1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine

1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine (PubChem CID 115846790) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine
PubChem CID115846790
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine
SMILESCCCNC(CC1CCOCC1)C(CC)c1ccccc1
InChIInChI=1S/C19H31NO/c1-3-12-20-19(15-16-10-13-21-14-11-16)18(4-2)17-8-6-5-7-9-17/h5-9,16,18-20H,3-4,10-15H2,1-2H3
InChIKeyPOEWKVVLKOZQAZ-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
7,7-dimethyl-3-phenyl-N-propyloctan-4-amine
CID 115849907
1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine
CID 116772559
N-[1-(2-methoxyphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 62608474
3-phenyl-N-propylpentan-2-amine
CID 66438754
N-[1-(3,4-dimethylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115846940
N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 63091681
3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine
CID 103987457
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 62600579
4-(1-phenylpropyl)oxane
CID 155461106
4-phenyl-N-propylhex-1-en-3-amine
CID 105000798

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine?
The IUPAC name of 1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine (CID 115846790) is 1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine is CCCNC(CC1CCOCC1)C(CC)c1ccccc1.
What is the InChIKey of 1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine?
The InChIKey is POEWKVVLKOZQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-12-20-19(15-16-10-13-21-14-11-16)18(4-2)17-8-6-5-7-9-17/h5-9,16,18-20H,3-4,10-15H2,1-2H3.
What are the key properties of 1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine?
1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.37, 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)-3-phenyl-N-propylpentan-2-amine is sourced from PubChem (CID 115846790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).