2,2-diphenyloctadecan-3-amine;hydrochloride

C30H48ClN — CID 173427037

IUPAC2,2-diphenyloctadecan-3-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCC(N)C(C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C30H47N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-29(31)30(2,27-22-17-15-18-23-27)28-24-19-16-20-25-28;/h15-20,22-25,29H,3-14,21,26,31H2,1-2H3;1H
InChIKeyRSTZNGXQKFPWOT-UHFFFAOYSA-N
MW458.17 g/mol
LogP9.22
Rot. Bonds17

About 2,2-diphenyloctadecan-3-amine;hydrochloride

2,2-diphenyloctadecan-3-amine;hydrochloride (PubChem CID 173427037) has the molecular formula C30H48ClN and a molecular weight of 458.17 g/mol. Its IUPAC name is 2,2-diphenyloctadecan-3-amine;hydrochloride.

Molecular Properties

Compound Name2,2-diphenyloctadecan-3-amine;hydrochloride
PubChem CID173427037
Molecular FormulaC30H48ClN
Molecular Weight458.17 g/mol
Exact Mass457.35
IUPAC Name2,2-diphenyloctadecan-3-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCC(N)C(C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C30H47N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-29(31)30(2,27-22-17-15-18-23-27)28-24-19-16-20-25-28;/h15-20,22-25,29H,3-14,21,26,31H2,1-2H3;1H
InChIKeyRSTZNGXQKFPWOT-UHFFFAOYSA-N
XLogP9.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.17
LogP ≤ 59.22
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

2-methyl-2-phenylnonan-3-amine
CID 63420123
3-ethyl-3-phenylheptadecan-4-amine;hydrochloride
CID 173450724
3,3-diphenylhenicosan-4-amine;hydrochloride
CID 173426885
3-ethyl-3-phenyltricosan-4-amine
CID 21316172
(3-methyl-2-phenyloctan-2-yl)benzene
CID 174435866
1,1,1-triphenylhexan-2-amine
CID 164823082
7-butyl-9-ethyl-8-phenylhexadecan-8-amine
CID 71195248
2-methyldecane-2,3-diamine
CID 87934186
tert-butylbenzene;hexane
CID 175254424
(3-ethyl-2-methylnonan-2-yl)benzene
CID 143461703
chloromethane;1-phenyltridecan-1-amine
CID 175245788
2-phenylicosan-2-amine;hydrochloride
CID 173065845

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyloctadecan-3-amine;hydrochloride?
The IUPAC name of 2,2-diphenyloctadecan-3-amine;hydrochloride (CID 173427037) is 2,2-diphenyloctadecan-3-amine;hydrochloride.
What is the SMILES notation for 2,2-diphenyloctadecan-3-amine;hydrochloride?
The canonical SMILES for 2,2-diphenyloctadecan-3-amine;hydrochloride is CCCCCCCCCCCCCCCC(N)C(C)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2,2-diphenyloctadecan-3-amine;hydrochloride?
The InChIKey is RSTZNGXQKFPWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-29(31)30(2,27-22-17-15-18-23-27)28-24-19-16-20-25-28;/h15-20,22-25,29H,3-14,21,26,31H2,1-2H3;1H.
What are the key properties of 2,2-diphenyloctadecan-3-amine;hydrochloride?
2,2-diphenyloctadecan-3-amine;hydrochloride has a molecular weight of 458.17 g/mol, XLogP of 9.22, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyloctadecan-3-amine;hydrochloride is sourced from PubChem (CID 173427037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).