2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol

C17H27NO3 — CID 116695410

IUPAC2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol
SMILESCOC1CCCC(OCCC(N)(CO)c2ccccc2)C1
InChIInChI=1S/C17H27NO3/c1-20-15-8-5-9-16(12-15)21-11-10-17(18,13-19)14-6-3-2-4-7-14/h2-4,6-7,15-16,19H,5,8-13,18H2,1H3
InChIKeyRBDDHUWPBLKOJR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.20
Rot. Bonds7

About 2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol

2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol (PubChem CID 116695410) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol
PubChem CID116695410
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol
SMILESCOC1CCCC(OCCC(N)(CO)c2ccccc2)C1
InChIInChI=1S/C17H27NO3/c1-20-15-8-5-9-16(12-15)21-11-10-17(18,13-19)14-6-3-2-4-7-14/h2-4,6-7,15-16,19H,5,8-13,18H2,1H3
InChIKeyRBDDHUWPBLKOJR-UHFFFAOYSA-N
XLogP2.20
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol
CID 116695464
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate
CID 116694362
2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol
CID 116695460
2-amino-2-phenylpentan-1-ol
CID 61056433
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol
CID 116695232
2-amino-4-(2-methoxyethylsulfanyl)-2-phenylbutan-1-ol
CID 116695696
2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide
CID 115465265
3-(3-methoxycyclopentyl)oxy-1-phenylpropan-1-one
CID 54482075
2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol
CID 64810208
2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol
CID 64809105

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol (CID 116695410) is 2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol is COC1CCCC(OCCC(N)(CO)c2ccccc2)C1.
What is the InChIKey of 2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol?
The InChIKey is RBDDHUWPBLKOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-20-15-8-5-9-16(12-15)21-11-10-17(18,13-19)14-6-3-2-4-7-14/h2-4,6-7,15-16,19H,5,8-13,18H2,1H3.
What are the key properties of 2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol?
2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol is sourced from PubChem (CID 116695410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).