2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine

C19H31NO — CID 63475423

IUPAC2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1Oc1cccc(C)c1
InChIInChI=1S/C19H31NO/c1-4-7-16-10-11-18(20-12-5-2)19(14-16)21-17-9-6-8-15(3)13-17/h6,8-9,13,16,18-20H,4-5,7,10-12,14H2,1-3H3
InChIKeyHCZMNSCJCZCFOI-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.71
Rot. Bonds7

About 2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine

2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine (PubChem CID 63475423) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine
PubChem CID63475423
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1Oc1cccc(C)c1
InChIInChI=1S/C19H31NO/c1-4-7-16-10-11-18(20-12-5-2)19(14-16)21-17-9-6-8-15(3)13-17/h6,8-9,13,16,18-20H,4-5,7,10-12,14H2,1-3H3
InChIKeyHCZMNSCJCZCFOI-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63500386
2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine
CID 62336151
N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine
CID 63474175
N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943241
2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63499642
2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile
CID 43292305
2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63475594
2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine
CID 106447149
3-[3-(methoxymethyl)phenoxy]-N-propyloxan-4-amine
CID 63985564
2-(2,4-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63473606
2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine
CID 64761505
cis-(1R,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
CID 99856434

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine?
The IUPAC name of 2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine (CID 63475423) is 2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine?
The canonical SMILES for 2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine is CCCNC1CCC(CCC)CC1Oc1cccc(C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine?
The InChIKey is HCZMNSCJCZCFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-7-16-10-11-18(20-12-5-2)19(14-16)21-17-9-6-8-15(3)13-17/h6,8-9,13,16,18-20H,4-5,7,10-12,14H2,1-3H3.
What are the key properties of 2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine?
2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine is sourced from PubChem (CID 63475423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).