1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol

C14H31NO3 — CID 114004592

IUPAC1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
SMILESCCCCC(CC)CNCC(O)COCCOC
InChIInChI=1S/C14H31NO3/c1-4-6-7-13(5-2)10-15-11-14(16)12-18-9-8-17-3/h13-16H,4-12H2,1-3H3
InChIKeyTXGSDMRCVSBONC-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.82
Rot. Bonds13

About 1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol

1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 114004592) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID114004592
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
SMILESCCCCC(CC)CNCC(O)COCCOC
InChIInChI=1S/C14H31NO3/c1-4-6-7-13(5-2)10-15-11-14(16)12-18-9-8-17-3/h13-16H,4-12H2,1-3H3
InChIKeyTXGSDMRCVSBONC-UHFFFAOYSA-N
XLogP1.82
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol
CID 103600432
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol
CID 165350340
1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
CID 64604441
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209198
4-[(3-butoxy-2-hydroxypropyl)amino]-1-methoxybutan-2-ol
CID 106246483
1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989797
1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 103600453
1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 115591833

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol (CID 114004592) is 1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol is CCCCC(CC)CNCC(O)COCCOC.
What is the InChIKey of 1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is TXGSDMRCVSBONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-4-6-7-13(5-2)10-15-11-14(16)12-18-9-8-17-3/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol?
1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 1.82, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 114004592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).