N-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine

C13H19N — CID 167215038

IUPACN-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine
SMILESC=C(c1ccc(CNC)cc1)C(C)C
InChIInChI=1S/C13H19N/c1-10(2)11(3)13-7-5-12(6-8-13)9-14-4/h5-8,10,14H,3,9H2,1-2,4H3
InChIKeyDXWRIMJOTPFCKU-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.08
Rot. Bonds4

About N-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine

N-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine (PubChem CID 167215038) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine
PubChem CID167215038
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine
SMILESC=C(c1ccc(CNC)cc1)C(C)C
InChIInChI=1S/C13H19N/c1-10(2)11(3)13-7-5-12(6-8-13)9-14-4/h5-8,10,14H,3,9H2,1-2,4H3
InChIKeyDXWRIMJOTPFCKU-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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methyl 2-[4-(methylaminomethyl)phenyl]acetate
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1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
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2-methyl-1-[4-(methylaminomethyl)phenyl]pentan-3-one
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1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 60880421
N-(2-hydroxyethyl)-4-(methylaminomethyl)benzamide
CID 70891086
1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836651
N-methyl-1-(4-propylphenyl)methanamine
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2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine
CID 91308032

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine (CID 167215038) is N-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine is C=C(c1ccc(CNC)cc1)C(C)C.
What is the InChIKey of N-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine?
The InChIKey is DXWRIMJOTPFCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)11(3)13-7-5-12(6-8-13)9-14-4/h5-8,10,14H,3,9H2,1-2,4H3.
What are the key properties of N-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine?
N-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine has a molecular weight of 189.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3-methylbut-1-en-2-yl)phenyl]methanamine is sourced from PubChem (CID 167215038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).