N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine

C18H28ClNO — CID 103138828

IUPACN-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC1CCC(CC(CNC(C)(C)C)c2ccc(Cl)cc2)O1
InChIInChI=1S/C18H28ClNO/c1-13-5-10-17(21-13)11-15(12-20-18(2,3)4)14-6-8-16(19)9-7-14/h6-9,13,15,17,20H,5,10-12H2,1-4H3
InChIKeyAYWMKKVKBKZGCC-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.77
Rot. Bonds5

About N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine

N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine (PubChem CID 103138828) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine
PubChem CID103138828
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC1CCC(CC(CNC(C)(C)C)c2ccc(Cl)cc2)O1
InChIInChI=1S/C18H28ClNO/c1-13-5-10-17(21-13)11-15(12-20-18(2,3)4)14-6-8-16(19)9-7-14/h6-9,13,15,17,20H,5,10-12H2,1-4H3
InChIKeyAYWMKKVKBKZGCC-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-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

2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138809
2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane
CID 103142699
N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 82834259
N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79436169
N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79437864
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204958
N-tert-butyl-2-(4-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 79438198
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989
2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138887
3-chloro-4-fluoro-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82834436

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine (CID 103138828) is N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine is CC1CCC(CC(CNC(C)(C)C)c2ccc(Cl)cc2)O1.
What is the InChIKey of N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is AYWMKKVKBKZGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-13-5-10-17(21-13)11-15(12-20-18(2,3)4)14-6-8-16(19)9-7-14/h6-9,13,15,17,20H,5,10-12H2,1-4H3.
What are the key properties of N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine?
N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 309.88 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103138828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).