N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine

C15H20ClNO2 — CID 103864559

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESCOc1ccc(CNC2CCOC2C2CC2)cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-18-14-5-2-10(8-12(14)16)9-17-13-6-7-19-15(13)11-3-4-11/h2,5,8,11,13,15,17H,3-4,6-7,9H2,1H3
InChIKeyNUHHGONCILDYJP-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.01
Rot. Bonds5

About N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine

N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine (PubChem CID 103864559) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
PubChem CID103864559
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESCOc1ccc(CNC2CCOC2C2CC2)cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-18-14-5-2-10(8-12(14)16)9-17-13-6-7-19-15(13)11-3-4-11/h2,5,8,11,13,15,17H,3-4,6-7,9H2,1H3
InChIKeyNUHHGONCILDYJP-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 103864579
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864509
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 65021627
N-[(3-chloro-4-methoxyphenyl)methyl]thian-4-amine
CID 115653478
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887
2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine
CID 103864424
2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
CID 103864488
2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 103864389
2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 103864489

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine (CID 103864559) is N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine is COc1ccc(CNC2CCOC2C2CC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is NUHHGONCILDYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-18-14-5-2-10(8-12(14)16)9-17-13-6-7-19-15(13)11-3-4-11/h2,5,8,11,13,15,17H,3-4,6-7,9H2,1H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine?
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 281.78 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-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103864559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).