2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol

C16H28N2O3 — CID 116695232

IUPAC2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol
SMILESCOCCN(CCOC)CCC(N)(CO)c1ccccc1
InChIInChI=1S/C16H28N2O3/c1-20-12-10-18(11-13-21-2)9-8-16(17,14-19)15-6-4-3-5-7-15/h3-7,19H,8-14,17H2,1-2H3
InChIKeyUZNHKSCCZHNTTD-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.82
Rot. Bonds11

About 2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol

2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol (PubChem CID 116695232) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol
PubChem CID116695232
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol
SMILESCOCCN(CCOC)CCC(N)(CO)c1ccccc1
InChIInChI=1S/C16H28N2O3/c1-20-12-10-18(11-13-21-2)9-8-16(17,14-19)15-6-4-3-5-7-15/h3-7,19H,8-14,17H2,1-2H3
InChIKeyUZNHKSCCZHNTTD-UHFFFAOYSA-N
XLogP0.82
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
2-amino-4-(2-methoxyethylsulfanyl)-2-phenylbutan-1-ol
CID 116695696
2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol
CID 116695191
2-amino-2-phenylpentan-1-ol
CID 61056433
4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695217
2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol
CID 116695460
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol
CID 64822026
2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol
CID 116695402
2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol
CID 116695410
2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol
CID 116695464
2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol
CID 112754686

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol (CID 116695232) is 2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol is COCCN(CCOC)CCC(N)(CO)c1ccccc1.
What is the InChIKey of 2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol?
The InChIKey is UZNHKSCCZHNTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-20-12-10-18(11-13-21-2)9-8-16(17,14-19)15-6-4-3-5-7-15/h3-7,19H,8-14,17H2,1-2H3.
What are the key properties of 2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol?
2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol has a molecular weight of 296.41 g/mol, XLogP of 0.82, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol is sourced from PubChem (CID 116695232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).