1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine

C14H20ClNO2 — CID 117427899

IUPAC1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(OC2CCOC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-14(2,16)8-10-3-4-13(12(15)7-10)18-11-5-6-17-9-11/h3-4,7,11H,5-6,8-9,16H2,1-2H3
InChIKeyMWWKDBXVHXITCH-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.79
Rot. Bonds4

About 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine

1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine (PubChem CID 117427899) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
PubChem CID117427899
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(OC2CCOC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-14(2,16)8-10-3-4-13(12(15)7-10)18-11-5-6-17-9-11/h3-4,7,11H,5-6,8-9,16H2,1-2H3
InChIKeyMWWKDBXVHXITCH-UHFFFAOYSA-N
XLogP2.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117425519
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005383
O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117397789
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]-3-methylbutanoic acid
CID 117481244
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
CID 117432335
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117417898
(3S)-3-[4-[(5-tert-butyl-2-chlorophenyl)methyl]phenoxy]oxolane
CID 90128332
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine
CID 63557845
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63558607

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine (CID 117427899) is 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine is CC(C)(N)Cc1ccc(OC2CCOC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine?
The InChIKey is MWWKDBXVHXITCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-14(2,16)8-10-3-4-13(12(15)7-10)18-11-5-6-17-9-11/h3-4,7,11H,5-6,8-9,16H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine?
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine has a molecular weight of 269.77 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117427899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).