N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine

C16H25NO — CID 116962676

IUPACN-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
SMILESCNC1CCC(c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C16H25NO/c1-12(2)18-16-10-6-14(7-11-16)13-4-8-15(17-3)9-5-13/h6-7,10-13,15,17H,4-5,8-9H2,1-3H3
InChIKeyBOUBQCLDEOSZFQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.72
Rot. Bonds4

About N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine

N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine (PubChem CID 116962676) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
PubChem CID116962676
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
SMILESCNC1CCC(c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C16H25NO/c1-12(2)18-16-10-6-14(7-11-16)13-4-8-15(17-3)9-5-13/h6-7,10-13,15,17H,4-5,8-9H2,1-3H3
InChIKeyBOUBQCLDEOSZFQ-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine (CID 116962676) is N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine is CNC1CCC(c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine?
The InChIKey is BOUBQCLDEOSZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)18-16-10-6-14(7-11-16)13-4-8-15(17-3)9-5-13/h6-7,10-13,15,17H,4-5,8-9H2,1-3H3.
What are the key properties of N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine?
N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 116962676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).