4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine

C16H21NO — CID 116924817

IUPAC4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine
SMILESCOc1ccc2cc(CCC(C)(C)N)ccc2c1
InChIInChI=1S/C16H21NO/c1-16(2,17)9-8-12-4-5-14-11-15(18-3)7-6-13(14)10-12/h4-7,10-11H,8-9,17H2,1-3H3
InChIKeyRNSHFIMMIFZHTA-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.52
Rot. Bonds4

About 4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine

4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine (PubChem CID 116924817) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine
PubChem CID116924817
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine
SMILESCOc1ccc2cc(CCC(C)(C)N)ccc2c1
InChIInChI=1S/C16H21NO/c1-16(2,17)9-8-12-4-5-14-11-15(18-3)7-6-13(14)10-12/h4-7,10-11H,8-9,17H2,1-3H3
InChIKeyRNSHFIMMIFZHTA-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine
CID 91666775
(2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid
CID 165351752
(6-methoxynaphthalen-2-yl)methanethiol
CID 79884829
4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine
CID 117032804
2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139877588
(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969
2-methyl-4-(4-propoxyphenyl)butan-2-amine
CID 98014307
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 68746310
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine (CID 116924817) is 4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine is COc1ccc2cc(CCC(C)(C)N)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine?
The InChIKey is RNSHFIMMIFZHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2,17)9-8-12-4-5-14-11-15(18-3)7-6-13(14)10-12/h4-7,10-11H,8-9,17H2,1-3H3.
What are the key properties of 4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine?
4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 116924817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).