N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine

C15H25NO2 — CID 43278204

IUPACN-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)C)ccc1OC(C)C
InChIInChI=1S/C15H25NO2/c1-6-17-15-9-13(10-16-11(2)3)7-8-14(15)18-12(4)5/h7-9,11-12,16H,6,10H2,1-5H3
InChIKeyVGHNPCGMRCQZMT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.37
Rot. Bonds7

About N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine

N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine (PubChem CID 43278204) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
PubChem CID43278204
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)C)ccc1OC(C)C
InChIInChI=1S/C15H25NO2/c1-6-17-15-9-13(10-16-11(2)3)7-8-14(15)18-12(4)5/h7-9,11-12,16H,6,10H2,1-5H3
InChIKeyVGHNPCGMRCQZMT-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43278195
N-[[3-ethoxy-4-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 62103258
N-[[3-ethoxy-4-(3-ethoxypropoxy)phenyl]methyl]propan-2-amine
CID 65176014
N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine
CID 81107013
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
CID 43278205
N-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]propan-2-amine
CID 43278203
4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
CID 84750211
1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one
CID 82160972
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60657605
3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline
CID 83952039
1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine
CID 93007101
methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate
CID 82186161

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine (CID 43278204) is N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine is CCOc1cc(CNC(C)C)ccc1OC(C)C.
What is the InChIKey of N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine?
The InChIKey is VGHNPCGMRCQZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-17-15-9-13(10-16-11(2)3)7-8-14(15)18-12(4)5/h7-9,11-12,16H,6,10H2,1-5H3.
What are the key properties of N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine?
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43278204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).