(2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol

C21H32N2O — CID 66672809

IUPAC(2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol
SMILESCn1c(CCCCCc2ccccc2)ccc1CC[C@@](C)(N)CO
InChIInChI=1S/C21H32N2O/c1-21(22,17-24)16-15-20-14-13-19(23(20)2)12-8-4-7-11-18-9-5-3-6-10-18/h3,5-6,9-10,13-14,24H,4,7-8,11-12,15-17,22H2,1-2H3/t21-/m1/s1
InChIKeyLJDQSGVRYIGQHH-OAQYLSRUSA-N
MW328.50 g/mol
LogP3.62
Rot. Bonds10

About (2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol

(2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol (PubChem CID 66672809) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is (2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol
PubChem CID66672809
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name(2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol
SMILESCn1c(CCCCCc2ccccc2)ccc1CC[C@@](C)(N)CO
InChIInChI=1S/C21H32N2O/c1-21(22,17-24)16-15-20-14-13-19(23(20)2)12-8-4-7-11-18-9-5-3-6-10-18/h3,5-6,9-10,13-14,24H,4,7-8,11-12,15-17,22H2,1-2H3/t21-/m1/s1
InChIKeyLJDQSGVRYIGQHH-OAQYLSRUSA-N
XLogP3.62
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]-1-methylpyrrol-2-yl]-5-phenylpentan-1-one
CID 11359833
(2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol
CID 66673033
1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-5-(3-methylphenyl)pentan-1-one
CID 11993068
1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chloro-1-methylpyrrol-2-yl]-5-phenylpentan-1-one
CID 11211108
2-amino-2-methyl-4-[5-[(E)-6-phenylhex-1-enyl]thiophen-2-yl]butan-1-ol
CID 10132222
2-amino-2-methyl-6-(4-octylphenyl)hexan-1-ol
CID 22618767
1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one
CID 66672941
1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]-1-methylpyrrol-2-yl]-4-(4-methylphenyl)butan-1-one;(E)-but-2-enoic acid
CID 91506630
2-amino-4-(4-heptoxyphenyl)-2-methylbutan-1-ol;1-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]octan-1-one;2-amino-2-methyl-4-[4-(4-phenylbutoxy)phenyl]butan-1-ol;hydrochloride
CID 160514502
1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chlorothiophen-2-yl]-5-phenylpentan-1-one
CID 11485789
27,27-dimethyloctacosylbenzene
CID 140589361
2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol
CID 69430601

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol?
The IUPAC name of (2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol (CID 66672809) is (2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol?
The canonical SMILES for (2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol is Cn1c(CCCCCc2ccccc2)ccc1CC[C@@](C)(N)CO.
What is the InChIKey of (2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol?
The InChIKey is LJDQSGVRYIGQHH-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H32N2O/c1-21(22,17-24)16-15-20-14-13-19(23(20)2)12-8-4-7-11-18-9-5-3-6-10-18/h3,5-6,9-10,13-14,24H,4,7-8,11-12,15-17,22H2,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol?
(2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol has a molecular weight of 328.50 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol is sourced from PubChem (CID 66672809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).