2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol

C14H18ClNO2 — CID 103864542

IUPAC2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
SMILESOc1ccc(CNC2CCOC2C2CC2)cc1Cl
InChIInChI=1S/C14H18ClNO2/c15-11-7-9(1-4-13(11)17)8-16-12-5-6-18-14(12)10-2-3-10/h1,4,7,10,12,14,16-17H,2-3,5-6,8H2
InChIKeySPNFYONNVGKPKZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.70
Rot. Bonds4

About 2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol

2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol (PubChem CID 103864542) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
PubChem CID103864542
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
SMILESOc1ccc(CNC2CCOC2C2CC2)cc1Cl
InChIInChI=1S/C14H18ClNO2/c15-11-7-9(1-4-13(11)17)8-16-12-5-6-18-14(12)10-2-3-10/h1,4,7,10,12,14,16-17H,2-3,5-6,8H2
InChIKeySPNFYONNVGKPKZ-UHFFFAOYSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
CID 103864589
N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864509
2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol
CID 113341265
2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol
CID 94428869
2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol
CID 62396541
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 103864489
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
N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580798

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol (CID 103864542) is 2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol is Oc1ccc(CNC2CCOC2C2CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol?
The InChIKey is SPNFYONNVGKPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-11-7-9(1-4-13(11)17)8-16-12-5-6-18-14(12)10-2-3-10/h1,4,7,10,12,14,16-17H,2-3,5-6,8H2.
What are the key properties of 2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol?
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol has a molecular weight of 267.76 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 103864542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).