(R)-cyclobutyl(phenanthren-9-yl)methanamine

C19H19N — CID 171212831

IUPAC(R)-cyclobutyl(phenanthren-9-yl)methanamine
SMILESN[C@@H](c1cc2ccccc2c2ccccc12)C1CCC1
InChIInChI=1S/C19H19N/c20-19(13-7-5-8-13)18-12-14-6-1-2-9-15(14)16-10-3-4-11-17(16)18/h1-4,6,9-13,19H,5,7-8,20H2/t19-/m1/s1
InChIKeyDIIJJZPQTUTDJI-LJQANCHMSA-N
MW261.37 g/mol
LogP4.79
Rot. Bonds2

About (R)-cyclobutyl(phenanthren-9-yl)methanamine

(R)-cyclobutyl(phenanthren-9-yl)methanamine (PubChem CID 171212831) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is (R)-cyclobutyl(phenanthren-9-yl)methanamine.

Molecular Properties

Compound Name(R)-cyclobutyl(phenanthren-9-yl)methanamine
PubChem CID171212831
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name(R)-cyclobutyl(phenanthren-9-yl)methanamine
SMILESN[C@@H](c1cc2ccccc2c2ccccc12)C1CCC1
InChIInChI=1S/C19H19N/c20-19(13-7-5-8-13)18-12-14-6-1-2-9-15(14)16-10-3-4-11-17(16)18/h1-4,6,9-13,19H,5,7-8,20H2/t19-/m1/s1
InChIKeyDIIJJZPQTUTDJI-LJQANCHMSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.79
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,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol
CID 171264796
(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042
(4-chloronaphthalen-1-yl)-cyclohexylmethanamine
CID 79596753
2-amino-2-phenanthren-9-ylethanol
CID 77130155
1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol
CID 171232064
(1S)-1-phenanthren-9-ylbutan-1-amine
CID 171232433
(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060
cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653
(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
CID 93025479
4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol
CID 116941898
(1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine
CID 171232441

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl(phenanthren-9-yl)methanamine?
The IUPAC name of (R)-cyclobutyl(phenanthren-9-yl)methanamine (CID 171212831) is (R)-cyclobutyl(phenanthren-9-yl)methanamine.
What is the SMILES notation for (R)-cyclobutyl(phenanthren-9-yl)methanamine?
The canonical SMILES for (R)-cyclobutyl(phenanthren-9-yl)methanamine is N[C@@H](c1cc2ccccc2c2ccccc12)C1CCC1.
What is the InChIKey of (R)-cyclobutyl(phenanthren-9-yl)methanamine?
The InChIKey is DIIJJZPQTUTDJI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19N/c20-19(13-7-5-8-13)18-12-14-6-1-2-9-15(14)16-10-3-4-11-17(16)18/h1-4,6,9-13,19H,5,7-8,20H2/t19-/m1/s1.
What are the key properties of (R)-cyclobutyl(phenanthren-9-yl)methanamine?
(R)-cyclobutyl(phenanthren-9-yl)methanamine has a molecular weight of 261.37 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclobutyl(phenanthren-9-yl)methanamine is sourced from PubChem (CID 171212831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).