3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine

C15H22ClNO — CID 71633070

IUPAC3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine
SMILESCC(C)NC1CCOCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-11(2)17-15-7-8-18-10-13(15)9-12-3-5-14(16)6-4-12/h3-6,11,13,15,17H,7-10H2,1-2H3
InChIKeyKQERKYLJKBAIDS-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.29
Rot. Bonds4

About 3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine

3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine (PubChem CID 71633070) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine
PubChem CID71633070
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine
SMILESCC(C)NC1CCOCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-11(2)17-15-7-8-18-10-13(15)9-12-3-5-14(16)6-4-12/h3-6,11,13,15,17H,7-10H2,1-2H3
InChIKeyKQERKYLJKBAIDS-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
(3S,4S)-3-[(3-fluorophenyl)methyl]-N-propan-2-yloxan-4-amine
CID 97175070
3-[(4-chlorophenyl)methyl]oxan-4-ol
CID 71649863
(3R,4S)-3-[(4-chlorophenyl)methyl]oxane-4-thiol
CID 97169900
3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride
CID 118991797
(3S,4S)-3-[(4-chlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 97166760
(3R,4R)-3-[(4-bromophenyl)methyl]-N-methyloxan-4-amine
CID 97167857
(3S,4S)-3-[(4-bromophenyl)methyl]-N-methyloxan-4-amine
CID 97167860
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167881
(3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine
CID 97176373
(3S,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonyl chloride
CID 98087195
N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine
CID 71634426

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine (CID 71633070) is 3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine is CC(C)NC1CCOCC1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine?
The InChIKey is KQERKYLJKBAIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(2)17-15-7-8-18-10-13(15)9-12-3-5-14(16)6-4-12/h3-6,11,13,15,17H,7-10H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine?
3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine has a molecular weight of 267.80 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine is sourced from PubChem (CID 71633070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).