3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine

C17H21NO — CID 79347921

IUPAC3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNCC=Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H21NO/c1-3-10-18-11-4-5-14-6-7-16-13-17(19-2)9-8-15(16)12-14/h4-9,12-13,18H,3,10-11H2,1-2H3
InChIKeyLBGDHKJKIWCEBO-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.86
Rot. Bonds6

About 3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine

3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine (PubChem CID 79347921) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine
PubChem CID79347921
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNCC=Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H21NO/c1-3-10-18-11-4-5-14-6-7-16-13-17(19-2)9-8-15(16)12-14/h4-9,12-13,18H,3,10-11H2,1-2H3
InChIKeyLBGDHKJKIWCEBO-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dichlorophenyl)-N-propylprop-2-en-1-amine
CID 79346821
N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine
CID 79340458
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 50999745
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79348223
4-(3,4-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 79593408
3-(6-methoxynaphthalen-2-yl)-2-methylprop-2-enal
CID 79331403
[2-oxo-2-(propylcarbamoylamino)ethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 8517542
3-(5-bromo-2-methoxyphenyl)-N-propylprop-2-en-1-amine
CID 79347023
3-(3-cyclopropylphenyl)-N-propylprop-2-en-1-amine
CID 79977395
4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine
CID 79590058
butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 10221471

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine (CID 79347921) is 3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine is CCCNCC=Cc1ccc2cc(OC)ccc2c1.
What is the InChIKey of 3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine?
The InChIKey is LBGDHKJKIWCEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-10-18-11-4-5-14-6-7-16-13-17(19-2)9-8-15(16)12-14/h4-9,12-13,18H,3,10-11H2,1-2H3.
What are the key properties of 3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine?
3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79347921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).