(1S)-N-methyl-1-phenanthren-2-ylethanamine

C17H17N — CID 165356089

IUPAC(1S)-N-methyl-1-phenanthren-2-ylethanamine
SMILESCN[C@@H](C)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C17H17N/c1-12(18-2)14-9-10-17-15(11-14)8-7-13-5-3-4-6-16(13)17/h3-12,18H,1-2H3/t12-/m0/s1
InChIKeyGQHVSSOJPGXGDO-LBPRGKRZSA-N
MW235.33 g/mol
LogP4.27
Rot. Bonds2

About (1S)-N-methyl-1-phenanthren-2-ylethanamine

(1S)-N-methyl-1-phenanthren-2-ylethanamine (PubChem CID 165356089) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is (1S)-N-methyl-1-phenanthren-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-phenanthren-2-ylethanamine
PubChem CID165356089
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name(1S)-N-methyl-1-phenanthren-2-ylethanamine
SMILESCN[C@@H](C)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C17H17N/c1-12(18-2)14-9-10-17-15(11-14)8-7-13-5-3-4-6-16(13)17/h3-12,18H,1-2H3/t12-/m0/s1
InChIKeyGQHVSSOJPGXGDO-LBPRGKRZSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.27
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

(1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine
CID 102238252
formaldehyde;6-[1-(methylamino)ethyl]naphthalen-1-ol
CID 142027103
3-propan-2-ylchrysene
CID 54288405
N-methyl-1-(3-naphthalen-1-yloxyphenyl)ethanamine
CID 79166432
3-pentan-3-ylbenzo[c]phenanthrene
CID 123614492
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
1-naphthalen-2-yl-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 57253252
1-(9H-carbazol-3-yl)-N-methylethanamine
CID 43483946
N-methyl-1-(4-naphthalen-2-yloxyphenyl)ethanamine
CID 43285636
1-(2,4-dimethylquinolin-7-yl)-N-methylethanamine
CID 105468041
1-chrysen-2-ylbutan-1-ol
CID 88920736
5-methyl-N-(1-naphthalen-2-ylethyl)hexan-2-amine
CID 43094860

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-phenanthren-2-ylethanamine?
The IUPAC name of (1S)-N-methyl-1-phenanthren-2-ylethanamine (CID 165356089) is (1S)-N-methyl-1-phenanthren-2-ylethanamine.
What is the SMILES notation for (1S)-N-methyl-1-phenanthren-2-ylethanamine?
The canonical SMILES for (1S)-N-methyl-1-phenanthren-2-ylethanamine is CN[C@@H](C)c1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of (1S)-N-methyl-1-phenanthren-2-ylethanamine?
The InChIKey is GQHVSSOJPGXGDO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N/c1-12(18-2)14-9-10-17-15(11-14)8-7-13-5-3-4-6-16(13)17/h3-12,18H,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-methyl-1-phenanthren-2-ylethanamine?
(1S)-N-methyl-1-phenanthren-2-ylethanamine has a molecular weight of 235.33 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-phenanthren-2-ylethanamine is sourced from PubChem (CID 165356089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).