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

C19H29NO — CID 115464536

IUPACN-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
SMILESCC1CCCCC1OCc1ccccc1CCNC1CC1
InChIInChI=1S/C19H29NO/c1-15-6-2-5-9-19(15)21-14-17-8-4-3-7-16(17)12-13-20-18-10-11-18/h3-4,7-8,15,18-20H,2,5-6,9-14H2,1H3
InChIKeyGSMPMYREZDSBHT-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.08
Rot. Bonds7

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

N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine (PubChem CID 115464536) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
PubChem CID115464536
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
SMILESCC1CCCCC1OCc1ccccc1CCNC1CC1
InChIInChI=1S/C19H29NO/c1-15-6-2-5-9-19(15)21-14-17-8-4-3-7-16(17)12-13-20-18-10-11-18/h3-4,7-8,15,18-20H,2,5-6,9-14H2,1H3
InChIKeyGSMPMYREZDSBHT-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

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CID 164623361
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Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine, 2,3,4,4a,5,6,7,11b-octahydro-, (E)-(+-)-
CID 3064604
Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine, 2,3,4,4a,5,6,7,11b-octahydro-, (Z)-(+-)-
CID 3064613
Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine, 2,3,4,4a,5,6,7,11b-octahydro-2-phenyl-, (E)-
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine (CID 115464536) is N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine is CC1CCCCC1OCc1ccccc1CCNC1CC1.
What is the InChIKey of N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is GSMPMYREZDSBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15-6-2-5-9-19(15)21-14-17-8-4-3-7-16(17)12-13-20-18-10-11-18/h3-4,7-8,15,18-20H,2,5-6,9-14H2,1H3.
What are the key properties of N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine?
N-[2-[2-[(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-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 115464536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).