2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol

C17H28N2O — CID 63273656

IUPAC2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol
SMILESCCC(C(O)c1ccccc1)N(C)CC1CCN(C)C1
InChIInChI=1S/C17H28N2O/c1-4-16(17(20)15-8-6-5-7-9-15)19(3)13-14-10-11-18(2)12-14/h5-9,14,16-17,20H,4,10-13H2,1-3H3
InChIKeyFLUJEAHBDVTLQY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.38
Rot. Bonds6

About 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol (PubChem CID 63273656) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol
PubChem CID63273656
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol
SMILESCCC(C(O)c1ccccc1)N(C)CC1CCN(C)C1
InChIInChI=1S/C17H28N2O/c1-4-16(17(20)15-8-6-5-7-9-15)19(3)13-14-10-11-18(2)12-14/h5-9,14,16-17,20H,4,10-13H2,1-3H3
InChIKeyFLUJEAHBDVTLQY-UHFFFAOYSA-N
XLogP2.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-phenylpropanethioamide
CID 63275740
N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine
CID 63274243
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 63274242
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
CID 115137663
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
CID 63275293
2-N,3-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63276153
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol
CID 63273824
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236552
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-phenylbutane-1,2-diamine
CID 62546230
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylbutane-1,2-diamine
CID 63275880

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol?
The IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol (CID 63273656) is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol.
What is the SMILES notation for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol?
The canonical SMILES for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol is CCC(C(O)c1ccccc1)N(C)CC1CCN(C)C1.
What is the InChIKey of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol?
The InChIKey is FLUJEAHBDVTLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-16(17(20)15-8-6-5-7-9-15)19(3)13-14-10-11-18(2)12-14/h5-9,14,16-17,20H,4,10-13H2,1-3H3.
What are the key properties of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol?
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol is sourced from PubChem (CID 63273656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).