1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine

C18H29NO — CID 63952731

IUPAC1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCCCCc1ccc(C(N)CCC2CCCCO2)cc1
InChIInChI=1S/C18H29NO/c1-2-3-6-15-8-10-16(11-9-15)18(19)13-12-17-7-4-5-14-20-17/h8-11,17-18H,2-7,12-14,19H2,1H3
InChIKeyXPSXUCLIPVHBEB-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.38
Rot. Bonds7

About 1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine

1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 63952731) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine
PubChem CID63952731
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCCCCc1ccc(C(N)CCC2CCCCO2)cc1
InChIInChI=1S/C18H29NO/c1-2-3-6-15-8-10-16(11-9-15)18(19)13-12-17-7-4-5-14-20-17/h8-11,17-18H,2-7,12-14,19H2,1H3
InChIKeyXPSXUCLIPVHBEB-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160664
1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine
CID 65154898
[3-(oxolan-2-yl)-1-(4-propylphenyl)propyl]hydrazine
CID 105303812
2-[2-(4-butylphenyl)-2-chloroethyl]oxolane
CID 65157757
3-cyclopentyl-1-(4-propylphenyl)propan-1-amine
CID 43106075
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43111276
4-butyl-N-(oxan-2-ylmethyl)aniline
CID 43403485
1-(oxan-2-yl)nonan-3-amine
CID 115833397
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine (CID 63952731) is 1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine is CCCCc1ccc(C(N)CCC2CCCCO2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is XPSXUCLIPVHBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-3-6-15-8-10-16(11-9-15)18(19)13-12-17-7-4-5-14-20-17/h8-11,17-18H,2-7,12-14,19H2,1H3.
What are the key properties of 1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine?
1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 63952731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).