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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Related Compounds

4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine
CID 71173126
1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 43768490
(4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane
CID 143308390
N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine
CID 117018247
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
(2R)-2-(4-propan-2-yloxyphenyl)oxirane
CID 30071232
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
CID 82262595
N-methyl-4-naphthalen-2-ylcyclohexan-1-amine
CID 116962734
N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine
CID 170248520
N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline
CID 64501251
3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 54973368

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).