N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine

C19H21N — CID 170865144

IUPACN,N-dimethyl-3-phenanthren-9-ylpropan-1-amine
SMILESCN(C)CCCc1cc2ccccc2c2ccccc12
InChIInChI=1S/C19H21N/c1-20(2)13-7-9-16-14-15-8-3-4-10-17(15)19-12-6-5-11-18(16)19/h3-6,8,10-12,14H,7,9,13H2,1-2H3
InChIKeyRCWMENWIIZVWEC-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.49
Rot. Bonds4

About N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine

N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine (PubChem CID 170865144) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenanthren-9-ylpropan-1-amine
PubChem CID170865144
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN,N-dimethyl-3-phenanthren-9-ylpropan-1-amine
SMILESCN(C)CCCc1cc2ccccc2c2ccccc12
InChIInChI=1S/C19H21N/c1-20(2)13-7-9-16-14-15-8-3-4-10-17(15)19-12-6-5-11-18(16)19/h3-6,8,10-12,14H,7,9,13H2,1-2H3
InChIKeyRCWMENWIIZVWEC-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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Related Compounds

N,N-dimethyl-4-(6-phenanthren-9-ylhexyl)aniline
CID 86151153
N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine
CID 170865620
2-[3-(dimethylamino)propyl]naphthalen-1-amine
CID 19734899
N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine
CID 170865366
3-[3-(dimethylamino)propyl]-N,N-dimethylquinolin-2-amine
CID 170866839
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419
N-(3-phenanthren-9-ylpropyl)aniline
CID 86246592
9-(methoxymethyl)phenanthrene
CID 15557052
N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine
CID 170865143
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
3-bromo-9-[4-(3-bromophenanthren-9-yl)butyl]phenanthrene
CID 15440441
N'-(phenanthren-9-ylmethyl)-N-[3-(phenanthren-9-ylmethylamino)propyl]propane-1,3-diamine;trihydrochloride
CID 170909086

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine (CID 170865144) is N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine is CN(C)CCCc1cc2ccccc2c2ccccc12.
What is the InChIKey of N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine?
The InChIKey is RCWMENWIIZVWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-20(2)13-7-9-16-14-15-8-3-4-10-17(15)19-12-6-5-11-18(16)19/h3-6,8,10-12,14H,7,9,13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine?
N,N-dimethyl-3-phenanthren-9-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-9-ylpropan-1-amine is sourced from PubChem (CID 170865144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).