12-(2,4-dimethylphenyl)dodecan-1-amine

C20H35N — CID 70565754

IUPAC12-(2,4-dimethylphenyl)dodecan-1-amine
SMILESCc1ccc(CCCCCCCCCCCCN)c(C)c1
InChIInChI=1S/C20H35N/c1-18-14-15-20(19(2)17-18)13-11-9-7-5-3-4-6-8-10-12-16-21/h14-15,17H,3-13,16,21H2,1-2H3
InChIKeySMUROWRAEQGJNE-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.71
Rot. Bonds12

About 12-(2,4-dimethylphenyl)dodecan-1-amine

12-(2,4-dimethylphenyl)dodecan-1-amine (PubChem CID 70565754) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 12-(2,4-dimethylphenyl)dodecan-1-amine.

Molecular Properties

Compound Name12-(2,4-dimethylphenyl)dodecan-1-amine
PubChem CID70565754
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name12-(2,4-dimethylphenyl)dodecan-1-amine
SMILESCc1ccc(CCCCCCCCCCCCN)c(C)c1
InChIInChI=1S/C20H35N/c1-18-14-15-20(19(2)17-18)13-11-9-7-5-3-4-6-8-10-12-16-21/h14-15,17H,3-13,16,21H2,1-2H3
InChIKeySMUROWRAEQGJNE-UHFFFAOYSA-N
XLogP5.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.71
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

4-(4-chloro-2-methylphenyl)butan-1-amine
CID 82282107
1-hept-6-enyl-2,4-dimethylbenzene
CID 91041017
3-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277653
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
6-(2-but-1-en-2-yl-4-methylphenyl)hexan-1-amine
CID 166814378
N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine
CID 65308446
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
5-(2,4-dimethylphenyl)-N-methylpentanehydrazide
CID 116845214
6-(2,4-dimethylphenyl)-2-methylhexan-3-amine
CID 83927989
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
3-(2,4-dimethylphenyl)-N-iodopropan-1-amine;ethane
CID 145450537
5-(4-methylnaphthalen-1-yl)pentan-1-amine
CID 65305159

Frequently Asked Questions

What is the IUPAC name of 12-(2,4-dimethylphenyl)dodecan-1-amine?
The IUPAC name of 12-(2,4-dimethylphenyl)dodecan-1-amine (CID 70565754) is 12-(2,4-dimethylphenyl)dodecan-1-amine.
What is the SMILES notation for 12-(2,4-dimethylphenyl)dodecan-1-amine?
The canonical SMILES for 12-(2,4-dimethylphenyl)dodecan-1-amine is Cc1ccc(CCCCCCCCCCCCN)c(C)c1.
What is the InChIKey of 12-(2,4-dimethylphenyl)dodecan-1-amine?
The InChIKey is SMUROWRAEQGJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-18-14-15-20(19(2)17-18)13-11-9-7-5-3-4-6-8-10-12-16-21/h14-15,17H,3-13,16,21H2,1-2H3.
What are the key properties of 12-(2,4-dimethylphenyl)dodecan-1-amine?
12-(2,4-dimethylphenyl)dodecan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.71, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,4-dimethylphenyl)dodecan-1-amine is sourced from PubChem (CID 70565754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).