2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine

C19H31NO — CID 105349458

IUPAC2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine
SMILESCC1CCC(C(C)C)C(OCc2ccc(CCN)cc2)C1
InChIInChI=1S/C19H31NO/c1-14(2)18-9-4-15(3)12-19(18)21-13-17-7-5-16(6-8-17)10-11-20/h5-8,14-15,18-19H,4,9-13,20H2,1-3H3
InChIKeySILXMAPBTXBEKO-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.17
Rot. Bonds6

About 2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine

2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine (PubChem CID 105349458) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine
PubChem CID105349458
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine
SMILESCC1CCC(C(C)C)C(OCc2ccc(CCN)cc2)C1
InChIInChI=1S/C19H31NO/c1-14(2)18-9-4-15(3)12-19(18)21-13-17-7-5-16(6-8-17)10-11-20/h5-8,14-15,18-19H,4,9-13,20H2,1-3H3
InChIKeySILXMAPBTXBEKO-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43104736
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-nitrobenzene
CID 10661260
2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene
CID 63458044
[3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 114479302
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43101222
[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 102663486
1-[ethoxy-[2-[ethoxy-[4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]phenyl]phosphoryl]ethynyl]phosphoryl]-4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene
CID 102072005
2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine
CID 55195389
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-yl]methanamine
CID 62445744
2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol
CID 57170894
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzoic acid
CID 43099520
5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
CID 54966296

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine (CID 105349458) is 2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine is CC1CCC(C(C)C)C(OCc2ccc(CCN)cc2)C1.
What is the InChIKey of 2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine?
The InChIKey is SILXMAPBTXBEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)18-9-4-15(3)12-19(18)21-13-17-7-5-16(6-8-17)10-11-20/h5-8,14-15,18-19H,4,9-13,20H2,1-3H3.
What are the key properties of 2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine?
2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine is sourced from PubChem (CID 105349458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).