N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine

C15H20BrNO — CID 103880746

IUPACN-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESCc1ccc(CNC2CCOC2C2CC2)cc1Br
InChIInChI=1S/C15H20BrNO/c1-10-2-3-11(8-13(10)16)9-17-14-6-7-18-15(14)12-4-5-12/h2-3,8,12,14-15,17H,4-7,9H2,1H3
InChIKeyGHQJDCHESXGRER-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.41
Rot. Bonds4

About N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine

N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine (PubChem CID 103880746) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
PubChem CID103880746
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESCc1ccc(CNC2CCOC2C2CC2)cc1Br
InChIInChI=1S/C15H20BrNO/c1-10-2-3-11(8-13(10)16)9-17-14-6-7-18-15(14)12-4-5-12/h2-3,8,12,14-15,17H,4-7,9H2,1H3
InChIKeyGHQJDCHESXGRER-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 105401525
2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
CID 103864589
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
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-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 103864495
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
5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 103864579
N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine
CID 105401271
N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864509

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine (CID 103880746) is N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine is Cc1ccc(CNC2CCOC2C2CC2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is GHQJDCHESXGRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10-2-3-11(8-13(10)16)9-17-14-6-7-18-15(14)12-4-5-12/h2-3,8,12,14-15,17H,4-7,9H2,1H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine?
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 310.24 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103880746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).