N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine

C18H29NO2 — CID 104628759

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C18H29NO2/c1-18(2,11-12-20-3)13-19-17(14-5-6-14)15-7-9-16(21-4)10-8-15/h7-10,14,17,19H,5-6,11-13H2,1-4H3
InChIKeyJCNFHMIBRDDJTO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.80
Rot. Bonds9

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine

N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine (PubChem CID 104628759) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
PubChem CID104628759
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C18H29NO2/c1-18(2,11-12-20-3)13-19-17(14-5-6-14)15-7-9-16(21-4)10-8-15/h7-10,14,17,19H,5-6,11-13H2,1-4H3
InChIKeyJCNFHMIBRDDJTO-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 90766
[2-(4-Isopropyl-2,2-dimethyl-tetrahydro-pyran-4-yl)-ethyl]-(4-methoxy-benzyl)-amine
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1-(4-methoxyphenyl)-N-methylmethanamine
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4-Methoxymethamphetamine, (R)-
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N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 9879041
2-(4-Methoxyphenyl)-1-methylpyrrolidine
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N-(4-methoxybenzyl)cyclohexanamine
CID 274796
N~1~,N~4~-Bis[(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 44458572
Benzeneethanamine, N-ethyl-4-methoxy-alpha-methyl-, hydrochloride (1:1)
CID 198672
4-methoxy-N-ethylamphetamine
CID 85725
2-[(4-Methoxybenzyl)amino]ethanol
CID 104469
Bis(4-methoxybenzyl)amine
CID 714952

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine (CID 104628759) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine is COCCC(C)(C)CNC(c1ccc(OC)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The InChIKey is JCNFHMIBRDDJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,11-12-20-3)13-19-17(14-5-6-14)15-7-9-16(21-4)10-8-15/h7-10,14,17,19H,5-6,11-13H2,1-4H3.
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 104628759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).