N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine

C19H31NO — CID 103965630

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOCc1ccc(CNC2CC(C)(C)CC(C)(C)C2)cc1
InChIInChI=1S/C19H31NO/c1-18(2)10-17(11-19(3,4)14-18)20-12-15-6-8-16(9-7-15)13-21-5/h6-9,17,20H,10-14H2,1-5H3
InChIKeyMVIHQQBQBWQAAR-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.53
Rot. Bonds5

About N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine

N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103965630) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103965630
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOCc1ccc(CNC2CC(C)(C)CC(C)(C)C2)cc1
InChIInChI=1S/C19H31NO/c1-18(2)10-17(11-19(3,4)14-18)20-12-15-6-8-16(9-7-15)13-21-5/h6-9,17,20H,10-14H2,1-5H3
InChIKeyMVIHQQBQBWQAAR-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998862
N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112681857
N-[[4-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965603
N-[(3-chloro-4-methoxyphenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965738
3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113429867
2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 107685969
N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine
CID 115654216
N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine
CID 103887979
N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965604
N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998578
N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 80679484
3,3,5,5-tetramethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexan-1-amine
CID 112682066

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103965630) is N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine is COCc1ccc(CNC2CC(C)(C)CC(C)(C)C2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is MVIHQQBQBWQAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-18(2)10-17(11-19(3,4)14-18)20-12-15-6-8-16(9-7-15)13-21-5/h6-9,17,20H,10-14H2,1-5H3.
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103965630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).