(1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine

C24H23N — CID 102238252

IUPAC(1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine
SMILESC[C@H](N[C@H](C)c1ccccc1)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C24H23N/c1-17(19-8-4-3-5-9-19)25-18(2)21-14-15-24-22(16-21)13-12-20-10-6-7-11-23(20)24/h3-18,25H,1-2H3/t17-,18+/m1/s1
InChIKeyOSQHPQZYFFMYSJ-MSOLQXFVSA-N
MW325.46 g/mol
LogP6.40
Rot. Bonds4

About (1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine

(1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine (PubChem CID 102238252) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is (1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine
PubChem CID102238252
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name(1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine
SMILESC[C@H](N[C@H](C)c1ccccc1)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C24H23N/c1-17(19-8-4-3-5-9-19)25-18(2)21-14-15-24-22(16-21)13-12-20-10-6-7-11-23(20)24/h3-18,25H,1-2H3/t17-,18+/m1/s1
InChIKeyOSQHPQZYFFMYSJ-MSOLQXFVSA-N
XLogP6.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 56.40
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

N-(1-naphthalen-2-ylethyl)-1-phenylethanamine
CID 22011039
(1S)-N-methyl-1-phenanthren-2-ylethanamine
CID 165356089
(1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine
CID 102238248
1-naphthalen-2-yl-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 57253252
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine
CID 22011088
(1R)-1-(6-methylnaphthalen-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54273414
5-methyl-N-(1-naphthalen-2-ylethyl)hexan-2-amine
CID 43094860
N-(1-naphthalen-2-ylethyl)pentan-3-amine
CID 43100971
(1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
CID 10709738
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-2-amine
CID 43371937
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine (CID 102238252) is (1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine is C[C@H](N[C@H](C)c1ccccc1)c1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of (1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine?
The InChIKey is OSQHPQZYFFMYSJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C24H23N/c1-17(19-8-4-3-5-9-19)25-18(2)21-14-15-24-22(16-21)13-12-20-10-6-7-11-23(20)24/h3-18,25H,1-2H3/t17-,18+/m1/s1.
What are the key properties of (1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine?
(1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine has a molecular weight of 325.46 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine is sourced from PubChem (CID 102238252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).