2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine

C14H20ClNO — CID 65167302

IUPAC2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine
SMILESCC(N)(CCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-14(16,9-8-13-3-2-10-17-13)11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10,16H2,1H3
InChIKeyXRJJOOUYCFULTR-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.47
Rot. Bonds4

About 2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine

2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine (PubChem CID 65167302) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine
PubChem CID65167302
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine
SMILESCC(N)(CCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-14(16,9-8-13-3-2-10-17-13)11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10,16H2,1H3
InChIKeyXRJJOOUYCFULTR-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65166677
2-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
CID 114191843
2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine
CID 62622554
1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea
CID 113216252
6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888
1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951355
2-[3-bromo-3-(4-chlorophenyl)propyl]oxolane
CID 65158160
1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993670
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270
2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol
CID 82779706
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine (CID 65167302) is 2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine is CC(N)(CCC1CCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is XRJJOOUYCFULTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(16,9-8-13-3-2-10-17-13)11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10,16H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine?
2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 253.77 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 65167302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).