(2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol

C24H35NO2 — CID 71280398

IUPAC(2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
SMILESCCCCCC1CCCC(Oc2ccc3cc(C[C@@H](N)CO)ccc3c2)C1
InChIInChI=1S/C24H35NO2/c1-2-3-4-6-18-7-5-8-23(15-18)27-24-12-11-20-13-19(14-22(25)17-26)9-10-21(20)16-24/h9-13,16,18,22-23,26H,2-8,14-15,17,25H2,1H3/t18?,22-,23?/m1/s1
InChIKeyJMTUZMKBYWSHPI-PDGCRQIGSA-N
MW369.55 g/mol
LogP5.22
Rot. Bonds9

About (2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol

(2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol (PubChem CID 71280398) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is (2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
PubChem CID71280398
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name(2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
SMILESCCCCCC1CCCC(Oc2ccc3cc(C[C@@H](N)CO)ccc3c2)C1
InChIInChI=1S/C24H35NO2/c1-2-3-4-6-18-7-5-8-23(15-18)27-24-12-11-20-13-19(14-22(25)17-26)9-10-21(20)16-24/h9-13,16,18,22-23,26H,2-8,14-15,17,25H2,1H3/t18?,22-,23?/m1/s1
InChIKeyJMTUZMKBYWSHPI-PDGCRQIGSA-N
XLogP5.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol with MolForge

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Related Compounds

2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride
CID 170892011
(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196153
(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
CID 66563404
(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride
CID 66563411
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol
CID 131860247
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1,3-diheptylcyclohexane
CID 19973333
cis-(1S,3R)-1-ethoxy-3-pentylcyclohexane
CID 101096763
(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol (CID 71280398) is (2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol is CCCCCC1CCCC(Oc2ccc3cc(C[C@@H](N)CO)ccc3c2)C1.
What is the InChIKey of (2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The InChIKey is JMTUZMKBYWSHPI-PDGCRQIGSA-N. The full InChI is InChI=1S/C24H35NO2/c1-2-3-4-6-18-7-5-8-23(15-18)27-24-12-11-20-13-19(14-22(25)17-26)9-10-21(20)16-24/h9-13,16,18,22-23,26H,2-8,14-15,17,25H2,1H3/t18?,22-,23?/m1/s1.
What are the key properties of (2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
(2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol has a molecular weight of 369.55 g/mol, XLogP of 5.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[6-(3-pentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 71280398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).