N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine

C14H20ClNO2 — CID 63556375

IUPACN-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OC2CCOC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10(2)16-8-11-3-4-14(13(15)7-11)18-12-5-6-17-9-12/h3-4,7,10,12,16H,5-6,8-9H2,1-2H3
InChIKeyAUSHUXRIYVVSLG-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.01
Rot. Bonds5

About N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine

N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine (PubChem CID 63556375) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
PubChem CID63556375
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OC2CCOC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10(2)16-8-11-3-4-14(13(15)7-11)18-12-5-6-17-9-12/h3-4,7,10,12,16H,5-6,8-9H2,1-2H3
InChIKeyAUSHUXRIYVVSLG-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64740154
1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
CID 117432335
N-[[4-nitro-3-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63557345
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine
CID 63557845
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117427899
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005383
1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117425519
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117397789
N-[[6-(oxolan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 63556915
N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine
CID 65459381
N-[[3-bromo-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63045859

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine (CID 63556375) is N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(OC2CCOC2)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine?
The InChIKey is AUSHUXRIYVVSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(2)16-8-11-3-4-14(13(15)7-11)18-12-5-6-17-9-12/h3-4,7,10,12,16H,5-6,8-9H2,1-2H3.
What are the key properties of N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine?
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine has a molecular weight of 269.77 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63556375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).