2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine

C16H21N — CID 116924796

IUPAC2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine
SMILESCc1ccc2cc(CC(C)(C)CN)ccc2c1
InChIInChI=1S/C16H21N/c1-12-4-6-15-9-13(5-7-14(15)8-12)10-16(2,3)11-17/h4-9H,10-11,17H2,1-3H3
InChIKeyBGTZCLSDZHYKNU-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.68
Rot. Bonds3

About 2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine

2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine (PubChem CID 116924796) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine
PubChem CID116924796
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine
SMILESCc1ccc2cc(CC(C)(C)CN)ccc2c1
InChIInChI=1S/C16H21N/c1-12-4-6-15-9-13(5-7-14(15)8-12)10-16(2,3)11-17/h4-9H,10-11,17H2,1-3H3
InChIKeyBGTZCLSDZHYKNU-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 122240080
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
3-(2,4-dimethylquinolin-6-yl)-2,2-dimethylpropan-1-amine
CID 82577007
3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
CID 56687188
2,6-dimethylnaphthalene;propane
CID 142191183
3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine
CID 115119779
2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine
CID 116996491
3-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine
CID 115200672
2-methyl-7-propylnaphthalene
CID 59912073
2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene
CID 142943343
N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 115195493
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine (CID 116924796) is 2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine is Cc1ccc2cc(CC(C)(C)CN)ccc2c1.
What is the InChIKey of 2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine?
The InChIKey is BGTZCLSDZHYKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-12-4-6-15-9-13(5-7-14(15)8-12)10-16(2,3)11-17/h4-9H,10-11,17H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine?
2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine is sourced from PubChem (CID 116924796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).