N,N-dimethyl-1-(2-octadecylphenyl)methanamine

C27H49N — CID 19374198

IUPACN,N-dimethyl-1-(2-octadecylphenyl)methanamine
SMILESCCCCCCCCCCCCCCCCCCc1ccccc1CN(C)C
InChIInChI=1S/C27H49N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-23-20-21-24-27(26)25-28(2)3/h20-21,23-24H,4-19,22,25H2,1-3H3
InChIKeyIIXHFRGOPYANGR-UHFFFAOYSA-N
MW387.70 g/mol
LogP8.55
Rot. Bonds19

About N,N-dimethyl-1-(2-octadecylphenyl)methanamine

N,N-dimethyl-1-(2-octadecylphenyl)methanamine (PubChem CID 19374198) has the molecular formula C27H49N and a molecular weight of 387.70 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-octadecylphenyl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-octadecylphenyl)methanamine
PubChem CID19374198
Molecular FormulaC27H49N
Molecular Weight387.70 g/mol
Exact Mass387.39
IUPAC NameN,N-dimethyl-1-(2-octadecylphenyl)methanamine
SMILESCCCCCCCCCCCCCCCCCCc1ccccc1CN(C)C
InChIInChI=1S/C27H49N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-23-20-21-24-27(26)25-28(2)3/h20-21,23-24H,4-19,22,25H2,1-3H3
InChIKeyIIXHFRGOPYANGR-UHFFFAOYSA-N
XLogP8.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.70
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride
CID 175358884
1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide
CID 173329859
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
1,2-dihexylbenzene;hydrate
CID 172833093
1-ethyl-2-henicosylbenzene
CID 141174443
2-heptyl-N,N-dimethylaniline
CID 69464807
1,2-didecylbenzene;phosphonous acid
CID 70526437

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-octadecylphenyl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-octadecylphenyl)methanamine (CID 19374198) is N,N-dimethyl-1-(2-octadecylphenyl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-octadecylphenyl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-octadecylphenyl)methanamine is CCCCCCCCCCCCCCCCCCc1ccccc1CN(C)C.
What is the InChIKey of N,N-dimethyl-1-(2-octadecylphenyl)methanamine?
The InChIKey is IIXHFRGOPYANGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-23-20-21-24-27(26)25-28(2)3/h20-21,23-24H,4-19,22,25H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-octadecylphenyl)methanamine?
N,N-dimethyl-1-(2-octadecylphenyl)methanamine has a molecular weight of 387.70 g/mol, XLogP of 8.55, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-octadecylphenyl)methanamine is sourced from PubChem (CID 19374198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).