N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine

C22H27N — CID 161498430

IUPACN-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCc1cccc2c1ccc1ccccc12)C(C)C
InChIInChI=1S/C22H27N/c1-16(2)23(17(3)4)15-14-19-9-7-11-22-20-10-6-5-8-18(20)12-13-21(19)22/h5-13,16-17H,14-15H2,1-4H3
InChIKeyWGNFNFDLFGAZML-UHFFFAOYSA-N
MW305.47 g/mol
LogP5.65
Rot. Bonds5

About N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine

N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 161498430) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine
PubChem CID161498430
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC NameN-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCc1cccc2c1ccc1ccccc12)C(C)C
InChIInChI=1S/C22H27N/c1-16(2)23(17(3)4)15-14-19-9-7-11-22-20-10-6-5-8-18(20)12-13-21(19)22/h5-13,16-17H,14-15H2,1-4H3
InChIKeyWGNFNFDLFGAZML-UHFFFAOYSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 55.65
H-Bond Donors ≤ 50
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-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
2-chrysen-1-ylethanol
CID 87369772
N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 173326782
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
CID 141440923
CID 141440923
phenanthren-1-ylmethanethiol
CID 57464699
chrysene;icosakis(2-methylpropane);perylene;phenanthrene;pyrene;triphenylene
CID 162052721
1-propan-2-ylphenanthrene
CID 12628671
chrysene;iron
CID 157379031
(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide
CID 94821471
(2R)-2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 119309086
1-(3-naphthalen-2-ylbutyl)naphthalene
CID 173247348

Frequently Asked Questions

What is the IUPAC name of N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine (CID 161498430) is N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(CCc1cccc2c1ccc1ccccc12)C(C)C.
What is the InChIKey of N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is WGNFNFDLFGAZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N/c1-16(2)23(17(3)4)15-14-19-9-7-11-22-20-10-6-5-8-18(20)12-13-21(19)22/h5-13,16-17H,14-15H2,1-4H3.
What are the key properties of N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine?
N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 305.47 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenanthren-1-ylethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 161498430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).