N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine

C19H21N — CID 170865620

IUPACN,N-dimethyl-3-phenanthren-3-ylpropan-1-amine
SMILESCN(C)CCCc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C19H21N/c1-20(2)13-5-6-15-9-10-17-12-11-16-7-3-4-8-18(16)19(17)14-15/h3-4,7-12,14H,5-6,13H2,1-2H3
InChIKeyWVKYEURXKHQNEP-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.49
Rot. Bonds4

About N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine

N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine (PubChem CID 170865620) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenanthren-3-ylpropan-1-amine
PubChem CID170865620
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN,N-dimethyl-3-phenanthren-3-ylpropan-1-amine
SMILESCN(C)CCCc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C19H21N/c1-20(2)13-5-6-15-9-10-17-12-11-16-7-3-4-8-18(16)19(17)14-15/h3-4,7-12,14H,5-6,13H2,1-2H3
InChIKeyWVKYEURXKHQNEP-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.49
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine (CID 170865620) is N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine is CN(C)CCCc1ccc2ccc3ccccc3c2c1.
What is the InChIKey of N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine?
The InChIKey is WVKYEURXKHQNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-20(2)13-5-6-15-9-10-17-12-11-16-7-3-4-8-18(16)19(17)14-15/h3-4,7-12,14H,5-6,13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine?
N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine is sourced from PubChem (CID 170865620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).