N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine

C16H26N2O — CID 116950593

IUPACN'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
SMILESCNC(CNC1CC1)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C16H26N2O/c1-11(2)14-9-12(5-8-16(14)19-4)15(17-3)10-18-13-6-7-13/h5,8-9,11,13,15,17-18H,6-7,10H2,1-4H3
InChIKeyFEHZBKJCSHTWHI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds7

About N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine

N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine (PubChem CID 116950593) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
PubChem CID116950593
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
SMILESCNC(CNC1CC1)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C16H26N2O/c1-11(2)14-9-12(5-8-16(14)19-4)15(17-3)10-18-13-6-7-13/h5,8-9,11,13,15,17-18H,6-7,10H2,1-4H3
InChIKeyFEHZBKJCSHTWHI-UHFFFAOYSA-N
XLogP2.83
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 116950576
N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950303
3-(4-methoxy-3-propan-2-ylphenyl)-3-(methylamino)propanoic acid
CID 112518828
cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 82086619
1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine
CID 116935148
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 112518271
2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol
CID 112512598
N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 79446366
azetidin-3-yl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 116935299
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949707

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine (CID 116950593) is N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine is CNC(CNC1CC1)c1ccc(OC)c(C(C)C)c1.
What is the InChIKey of N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is FEHZBKJCSHTWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)14-9-12(5-8-16(14)19-4)15(17-3)10-18-13-6-7-13/h5,8-9,11,13,15,17-18H,6-7,10H2,1-4H3.
What are the key properties of N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine?
N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 116950593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).