(1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine

C19H21N — CID 171232441

IUPAC(1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine
SMILESCC(C)C[C@H](N)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C19H21N/c1-13(2)11-19(20)18-12-14-7-3-4-8-15(14)16-9-5-6-10-17(16)18/h3-10,12-13,19H,11,20H2,1-2H3/t19-/m0/s1
InChIKeyUYYJUNOCYSJDLQ-IBGZPJMESA-N
MW263.38 g/mol
LogP5.04
Rot. Bonds3

About (1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine

(1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine (PubChem CID 171232441) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is (1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine.

Molecular Properties

Compound Name(1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine
PubChem CID171232441
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name(1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine
SMILESCC(C)C[C@H](N)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C19H21N/c1-13(2)11-19(20)18-12-14-7-3-4-8-15(14)16-9-5-6-10-17(16)18/h3-10,12-13,19H,11,20H2,1-2H3/t19-/m0/s1
InChIKeyUYYJUNOCYSJDLQ-IBGZPJMESA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-phenanthren-9-ylbutan-1-amine
CID 171232433
2-amino-2-phenanthren-9-ylethanol
CID 77130155
(3S)-3-amino-3-phenanthren-9-ylpropan-1-ol
CID 171232475
(1R)-1-phenanthren-9-ylbutane-1,4-diamine
CID 171212804
(1S,2R)-1-amino-5-methyl-1-phenanthren-9-ylhexan-2-ol;hydrochloride
CID 171270487
(3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride
CID 171260147
(1S,2R)-1-amino-3-methyl-1-phenanthren-9-ylpentan-2-ol
CID 171270480
(1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride
CID 171250653
9-(1-methoxyethyl)phenanthrene
CID 59800346
(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
CID 171213236
CID 163748349
CID 163748349
(1S,2R)-1-amino-1-phenanthren-9-ylhexan-2-ol
CID 171270484

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine?
The IUPAC name of (1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine (CID 171232441) is (1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine.
What is the SMILES notation for (1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine?
The canonical SMILES for (1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine is CC(C)C[C@H](N)c1cc2ccccc2c2ccccc12.
What is the InChIKey of (1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine?
The InChIKey is UYYJUNOCYSJDLQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N/c1-13(2)11-19(20)18-12-14-7-3-4-8-15(14)16-9-5-6-10-17(16)18/h3-10,12-13,19H,11,20H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine?
(1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine is sourced from PubChem (CID 171232441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).