N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine

C18H30N2O — CID 84754933

IUPACN-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine
SMILESCC(C)Oc1cc(CN(C)C2CCCCC2)ccc1CN
InChIInChI=1S/C18H30N2O/c1-14(2)21-18-11-15(9-10-16(18)12-19)13-20(3)17-7-5-4-6-8-17/h9-11,14,17H,4-8,12-13,19H2,1-3H3
InChIKeyZHJLUSLHEXFXIQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.70
Rot. Bonds6

About N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine

N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine (PubChem CID 84754933) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine
PubChem CID84754933
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine
SMILESCC(C)Oc1cc(CN(C)C2CCCCC2)ccc1CN
InChIInChI=1S/C18H30N2O/c1-14(2)21-18-11-15(9-10-16(18)12-19)13-20(3)17-7-5-4-6-8-17/h9-11,14,17H,4-8,12-13,19H2,1-3H3
InChIKeyZHJLUSLHEXFXIQ-UHFFFAOYSA-N
XLogP3.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine (CID 84754933) is N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine is CC(C)Oc1cc(CN(C)C2CCCCC2)ccc1CN.
What is the InChIKey of N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine?
The InChIKey is ZHJLUSLHEXFXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)21-18-11-15(9-10-16(18)12-19)13-20(3)17-7-5-4-6-8-17/h9-11,14,17H,4-8,12-13,19H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine?
N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine has a molecular weight of 290.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 84754933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).