2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide

C32H52BrN — CID 175600544

IUPAC2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)C(C)(C)N
InChIInChI=1S/C32H51N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-32(31(2,3)33,29-24-19-17-20-25-29)30-26-21-18-22-27-30;/h17-22,24-27H,4-16,23,28,33H2,1-3H3;1H
InChIKeyKSELEYLYZDAIIY-UHFFFAOYSA-N
MW530.68 g/mol
LogP10.16
Rot. Bonds18

About 2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide

2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide (PubChem CID 175600544) has the molecular formula C32H52BrN and a molecular weight of 530.68 g/mol. Its IUPAC name is 2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide.

Molecular Properties

Compound Name2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide
PubChem CID175600544
Molecular FormulaC32H52BrN
Molecular Weight530.68 g/mol
Exact Mass529.33
IUPAC Name2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)C(C)(C)N
InChIInChI=1S/C32H51N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-32(31(2,3)33,29-24-19-17-20-25-29)30-26-21-18-22-27-30;/h17-22,24-27H,4-16,23,28,33H2,1-3H3;1H
InChIKeyKSELEYLYZDAIIY-UHFFFAOYSA-N
XLogP10.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.68
LogP ≤ 510.16
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-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene
CID 21418823
2-phenyldecan-2-amine
CID 63408050
1,1-diphenyldodecan-1-amine
CID 19925745
2-phenylicosan-2-amine;hydrochloride
CID 173065845
1,1-diphenylhexan-1-amine
CID 20568221
2-methyl-2-phenyldecanoic acid
CID 154177551
2-methyl-2-phenylnonadecanoic acid
CID 140988291
15-phenylnonacosan-15-ylbenzene
CID 141310981
tert-butylbenzene;hexane
CID 175254424
sodium 2-methyl-2-phenyltetradecanoate
CID 175370916
5-butylhexadecan-5-ylbenzene
CID 173084700
(2S)-2-phenylhexan-2-amine
CID 10889241

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide?
The IUPAC name of 2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide (CID 175600544) is 2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide.
What is the SMILES notation for 2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide?
The canonical SMILES for 2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide is Br.CCCCCCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)C(C)(C)N.
What is the InChIKey of 2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide?
The InChIKey is KSELEYLYZDAIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-32(31(2,3)33,29-24-19-17-20-25-29)30-26-21-18-22-27-30;/h17-22,24-27H,4-16,23,28,33H2,1-3H3;1H.
What are the key properties of 2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide?
2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide has a molecular weight of 530.68 g/mol, XLogP of 10.16, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide is sourced from PubChem (CID 175600544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).