N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine

C19H31NO — CID 105349825

IUPACN-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine
SMILESCC1CCCC(OCc2ccc(CCNC(C)C)cc2)C1
InChIInChI=1S/C19H31NO/c1-15(2)20-12-11-17-7-9-18(10-8-17)14-21-19-6-4-5-16(3)13-19/h7-10,15-16,19-20H,4-6,11-14H2,1-3H3
InChIKeyFZVBFLPTQFTSJK-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.32
Rot. Bonds7

About N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine

N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine (PubChem CID 105349825) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine
PubChem CID105349825
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine
SMILESCC1CCCC(OCc2ccc(CCNC(C)C)cc2)C1
InChIInChI=1S/C19H31NO/c1-15(2)20-12-11-17-7-9-18(10-8-17)14-21-19-6-4-5-16(3)13-19/h7-10,15-16,19-20H,4-6,11-14H2,1-3H3
InChIKeyFZVBFLPTQFTSJK-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine (CID 105349825) is N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine is CC1CCCC(OCc2ccc(CCNC(C)C)cc2)C1.
What is the InChIKey of N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine?
The InChIKey is FZVBFLPTQFTSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)20-12-11-17-7-9-18(10-8-17)14-21-19-6-4-5-16(3)13-19/h7-10,15-16,19-20H,4-6,11-14H2,1-3H3.
What are the key properties of N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine?
N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 105349825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).