N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine

C18H32N2O — CID 62463675

IUPACN-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
SMILESCCC(C)N(CCOC)Cc1ccc(CNC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-6-16(4)20(11-12-21-5)14-18-9-7-17(8-10-18)13-19-15(2)3/h7-10,15-16,19H,6,11-14H2,1-5H3
InChIKeyXSHLBKHHGJNORW-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.43
Rot. Bonds10

About N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine

N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine (PubChem CID 62463675) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
PubChem CID62463675
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
SMILESCCC(C)N(CCOC)Cc1ccc(CNC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-6-16(4)20(11-12-21-5)14-18-9-7-17(8-10-18)13-19-15(2)3/h7-10,15-16,19H,6,11-14H2,1-5H3
InChIKeyXSHLBKHHGJNORW-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55001040
2-[4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenyl]acetic acid
CID 105345880
2-[4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenyl]propanoic acid
CID 105345879
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 62122949
N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 55070316
N-[(4-iodophenyl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 65477533
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-methoxyphenol
CID 82986315
N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine
CID 63492555
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 54942276
2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 82985781
N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 104566770
N-ethyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 155750962

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine (CID 62463675) is N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine is CCC(C)N(CCOC)Cc1ccc(CNC(C)C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine?
The InChIKey is XSHLBKHHGJNORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-16(4)20(11-12-21-5)14-18-9-7-17(8-10-18)13-19-15(2)3/h7-10,15-16,19H,6,11-14H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine?
N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine is sourced from PubChem (CID 62463675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).