N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine

C19H29NO — CID 105349289

IUPACN-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
SMILESCC1CCCCC1OCc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C19H29NO/c1-15-4-2-3-5-19(15)21-14-17-8-6-16(7-9-17)12-13-20-18-10-11-18/h6-9,15,18-20H,2-5,10-14H2,1H3
InChIKeyMZJGWTZHMIZWEQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.08
Rot. Bonds7

About N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine

N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine (PubChem CID 105349289) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
PubChem CID105349289
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
SMILESCC1CCCCC1OCc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C19H29NO/c1-15-4-2-3-5-19(15)21-14-17-8-6-16(7-9-17)12-13-20-18-10-11-18/h6-9,15,18-20H,2-5,10-14H2,1H3
InChIKeyMZJGWTZHMIZWEQ-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 115464536
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 60976387
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine
CID 60960704
4-[2-(cyclooctylamino)ethyl]phenol
CID 61238875
N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
CID 96661182
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine
CID 105350594
N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine
CID 105351121
N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine
CID 105350970
2-[(4-bromophenyl)methoxy]-N-propylcyclohexan-1-amine
CID 82832119

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine (CID 105349289) is N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine is CC1CCCCC1OCc1ccc(CCNC2CC2)cc1.
What is the InChIKey of N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is MZJGWTZHMIZWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15-4-2-3-5-19(15)21-14-17-8-6-16(7-9-17)12-13-20-18-10-11-18/h6-9,15,18-20H,2-5,10-14H2,1H3.
What are the key properties of N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine?
N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 105349289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).