N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine

C15H23N — CID 103711594

IUPACN-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NCc1ccc(C)c(C)c1
InChIInChI=1S/C15H23N/c1-4-5-14-9-15(14)16-10-13-7-6-11(2)12(3)8-13/h6-8,14-16H,4-5,9-10H2,1-3H3
InChIKeyHHOHHWHBSWITCO-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.58
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine

N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine (PubChem CID 103711594) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine
PubChem CID103711594
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NCc1ccc(C)c(C)c1
InChIInChI=1S/C15H23N/c1-4-5-14-9-15(14)16-10-13-7-6-11(2)12(3)8-13/h6-8,14-16H,4-5,9-10H2,1-3H3
InChIKeyHHOHHWHBSWITCO-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711454
N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 115968233
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501
4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile
CID 103711563
N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664685
2-propyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cyclopropan-1-amine
CID 114111276
3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride
CID 115664716
N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine
CID 103270528
N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908240
4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919708
2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol
CID 103720652
N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664737

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine (CID 103711594) is N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine is CCCC1CC1NCc1ccc(C)c(C)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine?
The InChIKey is HHOHHWHBSWITCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-5-14-9-15(14)16-10-13-7-6-11(2)12(3)8-13/h6-8,14-16H,4-5,9-10H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine?
N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine is sourced from PubChem (CID 103711594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).