1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine

C15H22ClNO — CID 63951355

IUPAC1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
SMILESNC(CCC1CCCCO1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c16-13-6-4-12(5-7-13)11-14(17)8-9-15-3-1-2-10-18-15/h4-7,14-15H,1-3,8-11,17H2
InChIKeyFMINVJUDHPBSDI-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine

1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine (PubChem CID 63951355) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
PubChem CID63951355
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
SMILESNC(CCC1CCCCO1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c16-13-6-4-12(5-7-13)11-14(17)8-9-15-3-1-2-10-18-15/h4-7,14-15H,1-3,8-11,17H2
InChIKeyFMINVJUDHPBSDI-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951755
1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
CID 113391539
1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115842841
1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
CID 63527017
1-(3,5-difluorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 105412483
2-[3-(bromomethyl)-4-(4-chlorophenyl)butyl]oxolane
CID 66042689
1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951754
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
5-(oxolan-2-yl)-1-pyridin-4-ylpentan-2-amine
CID 65164603
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
2-[3-bromo-3-(4-chlorophenyl)propyl]oxolane
CID 65158160

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine (CID 63951355) is 1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine is NC(CCC1CCCCO1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine?
The InChIKey is FMINVJUDHPBSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-13-6-4-12(5-7-13)11-14(17)8-9-15-3-1-2-10-18-15/h4-7,14-15H,1-3,8-11,17H2.
What are the key properties of 1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine?
1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine is sourced from PubChem (CID 63951355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).