2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine

C15H24N2 — CID 105347161

IUPAC2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
SMILESCC(CN)c1ccc(CN(C)CC2CC2)cc1
InChIInChI=1S/C15H24N2/c1-12(9-16)15-7-5-14(6-8-15)11-17(2)10-13-3-4-13/h5-8,12-13H,3-4,9-11,16H2,1-2H3
InChIKeyWOLKIOAAPTVZBB-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.59
Rot. Bonds6

About 2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine

2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine (PubChem CID 105347161) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
PubChem CID105347161
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
SMILESCC(CN)c1ccc(CN(C)CC2CC2)cc1
InChIInChI=1S/C15H24N2/c1-12(9-16)15-7-5-14(6-8-15)11-17(2)10-13-3-4-13/h5-8,12-13H,3-4,9-11,16H2,1-2H3
InChIKeyWOLKIOAAPTVZBB-UHFFFAOYSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine
CID 105346608
[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol
CID 112631198
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 105347432
4-[[cyclopropylmethyl(methyl)amino]methyl]benzenecarbothioamide
CID 60984483
2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105348027
2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105346309
2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]propanoic acid
CID 105346036
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62426751
2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347050
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine
CID 105347297
2-[4-(cyclopropylmethylsulfanyl)phenyl]propan-1-amine
CID 117317153
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
CID 105347417

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine?
The IUPAC name of 2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine (CID 105347161) is 2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine is CC(CN)c1ccc(CN(C)CC2CC2)cc1.
What is the InChIKey of 2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine?
The InChIKey is WOLKIOAAPTVZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(9-16)15-7-5-14(6-8-15)11-17(2)10-13-3-4-13/h5-8,12-13H,3-4,9-11,16H2,1-2H3.
What are the key properties of 2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine?
2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105347161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).