N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine

C22H37N — CID 70498965

IUPACN-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine
SMILESC=Cc1ccccc1C(C)NCCCCCCCCCCCC
InChIInChI=1S/C22H37N/c1-4-6-7-8-9-10-11-12-13-16-19-23-20(3)22-18-15-14-17-21(22)5-2/h5,14-15,17-18,20,23H,2,4,6-13,16,19H2,1,3H3
InChIKeyOAXMHMBUKCMHSF-UHFFFAOYSA-N
MW315.55 g/mol
LogP6.90
Rot. Bonds14

About N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine

N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine (PubChem CID 70498965) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine
PubChem CID70498965
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC NameN-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine
SMILESC=Cc1ccccc1C(C)NCCCCCCCCCCCC
InChIInChI=1S/C22H37N/c1-4-6-7-8-9-10-11-12-13-16-19-23-20(3)22-18-15-14-17-21(22)5-2/h5,14-15,17-18,20,23H,2,4,6-13,16,19H2,1,3H3
InChIKeyOAXMHMBUKCMHSF-UHFFFAOYSA-N
XLogP6.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
N-[(1R)-1-(2-bromophenyl)ethyl]hexan-1-amine
CID 29285129
N-[(1S)-1-(2-bromophenyl)ethyl]octan-1-amine
CID 81383416
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415
N-[1-(4-ethenylphenyl)ethyl]octadecan-1-amine
CID 20554605
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine
CID 151487959
N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine
CID 150497042
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-[(2-ethenylphenyl)methyl]dodecan-1-amine
CID 19833787

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine?
The IUPAC name of N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine (CID 70498965) is N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine.
What is the SMILES notation for N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine?
The canonical SMILES for N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine is C=Cc1ccccc1C(C)NCCCCCCCCCCCC.
What is the InChIKey of N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine?
The InChIKey is OAXMHMBUKCMHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N/c1-4-6-7-8-9-10-11-12-13-16-19-23-20(3)22-18-15-14-17-21(22)5-2/h5,14-15,17-18,20,23H,2,4,6-13,16,19H2,1,3H3.
What are the key properties of N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine?
N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine has a molecular weight of 315.55 g/mol, XLogP of 6.90, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine is sourced from PubChem (CID 70498965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).