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

C17H29NO2 — CID 43278195

IUPACN-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)C)ccc1OCCC(C)C
InChIInChI=1S/C17H29NO2/c1-6-19-17-11-15(12-18-14(4)5)7-8-16(17)20-10-9-13(2)3/h7-8,11,13-14,18H,6,9-10,12H2,1-5H3
InChIKeyTUGXZIIQSCJXMZ-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.01
Rot. Bonds9

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

N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine (PubChem CID 43278195) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine
PubChem CID43278195
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)C)ccc1OCCC(C)C
InChIInChI=1S/C17H29NO2/c1-6-19-17-11-15(12-18-14(4)5)7-8-16(17)20-10-9-13(2)3/h7-8,11,13-14,18H,6,9-10,12H2,1-5H3
InChIKeyTUGXZIIQSCJXMZ-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]propan-2-amine
CID 43278203
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204
N-[[3-ethoxy-4-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 62103258
(2R)-N-[(4-butoxy-3-ethoxyphenyl)methyl]butan-2-amine
CID 100555543
N-[(4-butoxy-3-ethoxyphenyl)methyl]butan-2-amine
CID 132649783
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
CID 43278205
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 29227521
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60657605
N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
CID 39356684
N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935357

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine (CID 43278195) is N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine is CCOc1cc(CNC(C)C)ccc1OCCC(C)C.
What is the InChIKey of N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine?
The InChIKey is TUGXZIIQSCJXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-19-17-11-15(12-18-14(4)5)7-8-16(17)20-10-9-13(2)3/h7-8,11,13-14,18H,6,9-10,12H2,1-5H3.
What are the key properties of N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine?
N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43278195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).