N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine

C14H20ClNO — CID 79368166

IUPACN-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCOC1c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-10(2)16-9-12-6-7-17-14(12)11-4-3-5-13(15)8-11/h3-5,8,10,12,14,16H,6-7,9H2,1-2H3
InChIKeyOBIWKTCXEOWSFJ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.42
Rot. Bonds4

About N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine

N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 79368166) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID79368166
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCOC1c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-10(2)16-9-12-6-7-17-14(12)11-4-3-5-13(15)8-11/h3-5,8,10,12,14,16H,6-7,9H2,1-2H3
InChIKeyOBIWKTCXEOWSFJ-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368826
N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine
CID 79368351
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 81441664
N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368925
N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79367506
2-(3-chlorophenyl)oxolan-3-amine
CID 79364588
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365740
N-[[2-(4-bromo-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365469
1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine
CID 113329497
N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368537
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80998947
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 115530341

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine (CID 79368166) is N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1CCOC1c1cccc(Cl)c1.
What is the InChIKey of N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is OBIWKTCXEOWSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(2)16-9-12-6-7-17-14(12)11-4-3-5-13(15)8-11/h3-5,8,10,12,14,16H,6-7,9H2,1-2H3.
What are the key properties of N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine?
N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 253.77 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79368166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).